3-Octanol supplier | CasNO.589-98-0

Name
3-Octanol
EINECS 209-667-4
CAS No. 589-98-0
Article Data236
CAS DataBase
Density 0.822 g/cm³
Solubility 1.5g/L at 25℃
Melting Point -45 °C
Formula C₈H₁₈O
Boiling Point 168.999 °C at 760 mmHg
Molecular Weight 130.23
Flash Point 65.556 °C
Transport Information
Appearance Clear colorless liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Ethyl-1-hexanol;DL-3-Octanol;Ethylamylcarbinol;Octan-3-ol;n-Octan-3-ol;
PSA 20.23000
LogP 2.33760

Synthetic route

: 3391-86-4
1-octen-3-ol

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With sodium tetrahydroborate; C11H18Cl2CoN2S; hydrogen In isopropyl alcohol at 100℃; under 37503.8 Torr; for 16h; Reagent/catalyst; Solvent; Glovebox; Autoclave;	98%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 1h; chemoselective reaction;	94%
Stage #1: 1-octen-3-ol With lithium triethylborohydride; cobalt(II) bromide In tetrahydrofuran Inert atmosphere; Glovebox; Stage #2: With hydrogen In tetrahydrofuran at 20℃; under 1500.15 Torr; for 3h;	93%

: 2-(1-ethyl-hexyloxy)-tetrahydro-pyran

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With dimethylbromosulphonium bromide In methanol; dichloromethane at 20℃; for 0.416667h;	92%
With zinc tetrafluoroborate In methanol; dichloromethane; water at 20℃; for 0.416667h;	92%

: 141090-46-2
3-(t-butyldimethylsiloxy)octane

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With acetonyltriphenylphosphonium bromide In methanol; dichloromethane at 20℃; for 0.366667h;	91%
With titanium tetrachloride; ethyl acetate In chlorobenzene at -18℃; for 0.5h;

: 106-68-3
3-octanone

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With isopropyl alcohol at 80℃; for 24h; Inert atmosphere;	85%
With C29H34BNOP2Ru In ethanol; dichloromethane Schlenk technique; Inert atmosphere; Reflux;	80%
With ammonium hydroxide; sodium tetrahydroborate In ethanol; water for 3h; Ambient temperature;	79.02%

: 589-98-0, 20296-29-1, 70492-66-9, 22658-92-0
(S)-octan-3-ol

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With (η(5)-C5Me5)RuCl(1,3-bis(cyclohexyl)imidazol-2-ylidene); sodium t-butanolate In toluene at 20℃;	84%
With C32H42N2ORu In toluene at 50℃;	82%

: 3391-86-4
1-octen-3-ol

A: 106-68-3
3-octanone

B: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With sodium carbonate decahydrate; dichlororuthenium(II) (p-cymene)(1,3,5-triaza-7-phosphaadamantane); hydrogen In water at 75℃; under 750.075 Torr; pH=7; Catalytic behavior; Schlenk technique;	A 81% B 17%
With Fe(bis[(diisopropylphosphino)ethyl]amine)(CO)(H)(BH4); potassium tert-butylate; isopropyl alcohol at 80℃; for 1h; Catalytic behavior; Reagent/catalyst; Inert atmosphere;	A 28% B 60%
With isopropyl alcohol under 760.051 Torr; for 2h; Inert atmosphere; Heating;	A 6 %Chromat. B 94 %Chromat.

: 925-90-6
ethylmagnesium bromide

: 66-25-1
hexanal

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
In diethyl ether at 0 - 20℃;	53%

: 4864-61-3
1-ethylhexyl acetate

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With ethanol at 90℃; under 10343.2 Torr; for 16h; Catalytic behavior; Inert atmosphere;	44%
With carbon-supported single-site molybdenum dioxo In ethanol at 90℃; under 10343.2 Torr; for 16h; Time; Inert atmosphere;	44 %Spectr.

: 111-65-9
octane

A: 106-68-3
3-octanone

B: 589-63-9
octan-4-one

C: 589-62-8
octan-4-ol

D: 589-98-0
rac-3-octanol

E: 4128-31-8
rac-octan-2-ol

F: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With [PPh4]2[MnV(N)(CN)4]; tetrabutylammonium periodite; acetic acid In 2,2,2-trifluoroethanol at 23℃; Inert atmosphere;	A 14% B 14% C 18% D 18% E 20% F 16%
With [PPh4]2[MnV(N)(CN)4]; dihydrogen peroxide; acetic acid In 2,2,2-trifluoroethanol at 23℃; for 5h; Inert atmosphere;	A 14% B 14% C 18% D 19% E 17% F 15%
With Co(III)(BPI)(OAc)(OO-tBu) at 60℃; for 2h; Product distribution; stoichiometric oxidation by various cobalt(III)alkylperoxy complexes; further products;	A 7.8% B 8.3% C 4.6% D 5% E 7% F 12%

...Expand

: 6393-56-2
pentylmagnesium chloride

: 123-38-6
propionaldehyde

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With diethyl ether

: 693-25-4
n-pentylmagnesium bromide

: 123-38-6
propionaldehyde

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With diethyl ether

: 10467-10-4
ethylmagnesium iodide

: 66-25-1
hexanal

: 589-98-0
rac-3-octanol

: 106-99-0
buta-1,3-diene

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
ueber (+-)-3-Acetoxy-octan;

: 3234-26-2
2,3-epoxyoctane

A: 589-98-0
rac-3-octanol

B: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With chloro-trimethyl-silane; zinc In dichloromethane for 0.0833333h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 111-65-9
octane

A: 111-87-5
octanol

B: 589-62-8
octan-4-ol

C: 589-98-0
rac-3-octanol

D: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With iodosylbenzene; MnTTPPP(OAc) In benzene at 25℃; for 7h; Mechanism; other catalysts and regioselectivity investigated;
With potassium hydroxide; dihydrogen peroxide 1.) ethyl acetate, 5 h, irradiation; 2.) methanol, 4 h, reflux; Yield given. Multistep reaction. Yields of byproduct given;
With dihydrogen peroxide; chromic acid In acetonitrile at 60℃; under 750.06 Torr; for 1h; Product distribution;

...Expand

: 111-65-9
octane

A: 111-87-5
octanol

B: 589-98-0
rac-3-octanol

C: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With isozyme P-450b for 0.166667h; Product distribution; Mechanism; P-450 reductase, NADPH, phosphatidylcholine (pH 8.2); var. isozymes of cytochrome P-450;
With cytochrome P450 BM3 from Bacillus megaterium 77-9H mutation; oxygen; NADPH In phosphate buffer; ethanol at 25℃; under 1050.08 Torr; for 12h; pH=8.0; Title compound not separated from byproducts;
With cytochrome P450 BM-3 enzyme mutant 12-10C; nicotinamide adenine dinucleotide phosphate In aq. phosphate buffer; ethanol pH=8.0; Catalytic behavior; Kinetics; Reagent/catalyst; Enzymatic reaction;
With cytochrome P450 BM-3 enzyme mutant 29-3E; nicotinamide adenine dinucleotide phosphate In aq. phosphate buffer; ethanol pH=8.0; Catalytic behavior; Kinetics; Reagent/catalyst; Enzymatic reaction; regiospecific reaction;

...Expand

: 111-65-9
octane

A: 106-68-3
3-octanone

B: 589-63-9
octan-4-one

C: 589-62-8
octan-4-ol

D: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With (pyridine-2-carboxylate)VO(O2)(H2O)2 In acetonitrile at 20℃; for 5h; Further byproducts given;	A 2.9 % Chromat. B 2.8 % Chromat. C 0.5 % Chromat. D 0.5 % Chromat.

...Expand

: 111-65-9
octane

A: 106-68-3
3-octanone

B: 589-63-9
octan-4-one

C: 589-98-0
rac-3-octanol

D: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With (pyridine-2-carboxylate)VO(O2)(H2O)2 In acetonitrile at 20℃; for 5h; Further byproducts given;	A 2.9 % Chromat. B 2.8 % Chromat. C 0.5 % Chromat. D 2.4 % Chromat.

...Expand

: 111-65-9
octane

A: 106-68-3
3-octanone

B: 589-62-8
octan-4-ol

C: 589-98-0
rac-3-octanol

D: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With (pyridine-2-carboxylate)VO(O2)(H2O)2 In acetonitrile at 20℃; for 5h; Further byproducts given;	A 2.9 % Chromat. B 0.5 % Chromat. C 0.5 % Chromat. D 2.4 % Chromat.
With Titanium substituted ZSM-5; dihydrogen peroxide In butanone at 80℃; for 4h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 111-65-9
octane

A: 589-63-9
octan-4-one

B: 589-62-8
octan-4-ol

C: 589-98-0
rac-3-octanol

D: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With (pyridine-2-carboxylate)VO(O2)(H2O)2 In acetonitrile at 20℃; for 5h; Further byproducts given;	A 2.8 % Chromat. B 0.5 % Chromat. C 0.5 % Chromat. D 2.4 % Chromat.

...Expand

: 111-65-9
octane

A: 589-62-8
octan-4-ol

B: 589-98-0
rac-3-octanol

C: 4128-31-8
rac-octan-2-ol

D: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With (pyridine-2-carboxylate)VO(O2)(H2O)2 In acetonitrile at 20℃; for 5h; Further byproducts given;	A 0.5 % Chromat. B 0.5 % Chromat. C 1.5 % Chromat. D 2.4 % Chromat.
With Titanium substituted ZSM-5; dihydrogen peroxide In butanone at 80℃; for 4h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
With bis(acetylacetonate)oxovanadium; dihydrogen peroxide In acetic acid at 30℃; Product distribution;
With oxygen; NADPH; CYP monooxygenase CYP102A1 mutant A74G In phosphate buffer; dimethyl sulfoxide at 20℃; for 100h; pH=6; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 111-67-1
2-octene

A: 589-98-0
rac-3-octanol

B: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With sodium persulfate; silver nitrate In water; acetonitrile Heating;

: 13389-42-9
trans-2-Octene

A: 589-98-0
rac-3-octanol

B: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With sodium hydrogensulfide; lithium nitrate 1.) MeCN/Et2O/H2O, 10 deg C, anodic oxidation condition; 2.) EtOH; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
Stage #1: trans-2-Octene With 2-(perfluorooctyl)ethyl methyl sulfide*BH3 In dichloromethane at 0℃; for 1h; Stage #2: With sodium hydroxide; dihydrogen peroxide In dichloromethane; water Further stages.;
With C11H7F17S(1+)B(1-)H3; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl methyl sulfide In FC-72; dichloromethane

: 628-17-1
amyl iodide

: 74178-57-7
propyldimesitylborane

A: 589-98-0
rac-3-octanol

B: 527-60-6
Mesitol

Conditions

Conditions	Yield
Yield given. Multistep reaction;

...Expand

: 628-17-1
amyl iodide

: C21H28BLi

: 589-98-0
rac-3-octanol

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide 1.) THF, hexane, 0 deg C, 0.5 h, 2.) THF, hexane, methanol, 68 deg C, 72 h; Yield given. Multistep reaction;

: 110-63-4
Butane-1,4-diol

: 71-36-3
butan-1-ol

A: 41796-89-8
3-hydroxymethyl-1,7-heptanediol

B: 589-98-0
rac-3-octanol

C: 80676-17-1
2-(n-butyl)-1,4-butanediol

D: 80676-15-9
2-(1-hydroxymethylpropyl)tetrahydrofuran

Conditions

Conditions	Yield
With chromium(III) oxide; sodium; nickel 2) reflux, 20 h, separation of water; Yield given. Multistep reaction. Further byproducts given;

...Expand

: 110-63-4
Butane-1,4-diol

: 71-36-3
butan-1-ol

A: 589-98-0
rac-3-octanol

B: 80676-17-1
2-(n-butyl)-1,4-butanediol

C: 80676-15-9
2-(1-hydroxymethylpropyl)tetrahydrofuran

D: 73373-12-3
2-(1-hydroxymethyl-3-hydroxypropyl)tetrahydrofuran

Conditions

Conditions	Yield
With chromium(III) oxide; sodium; nickel 2) reflux, 20 h, separation of water; Yield given. Multistep reaction. Further byproducts given;

...Expand

: 111-65-9
octane

A: 106-68-3
3-octanone

B: 589-63-9
octan-4-one

C: 589-98-0
rac-3-octanol

D: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With Titanium substituted ZSM-5; dihydrogen peroxide In butanone at 80℃; for 4h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 111-65-9
octane

A: 589-63-9
octan-4-one

B: 589-62-8
octan-4-ol

C: 589-98-0
rac-3-octanol

D: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With Titanium substituted ZSM-5; dihydrogen peroxide In butanone at 80℃; for 4h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
With purified cytochrome P450 BM-3 (Bacillus megaterium); tris hydrochloride; NADPH In water; dimethyl sulfoxide at 20℃; for 2h; Enzyme kinetics; Product distribution; Further Variations:; Reagents; Enzymatic reaction;

...Expand

: 111-65-9
octane

A: 589-62-8
octan-4-ol

B: 589-98-0
rac-3-octanol

C: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; lithium aluminium tetrahydride; 4 A molecular sieve; manganese(IV) oxide 1) benzene, 60 deg C, 48 h, 2) Et2O, r.t.; Yield given. Multistep reaction. Yields of byproduct given;
With L188Q mutant; sol-gel immobilised P450 BM-3 A74G; NADPH In phosphate buffer; dimethyl sulfoxide for 2h; pH=7.5; Enzymatic reaction;
With NADPH In dimethyl sulfoxide at 30℃; pH=7.4; Product distribution; Further Variations:; Reagents;	A 42 % Chromat. B 43 % Chromat. C 15 % Chromat.

...Expand

: 589-98-0
rac-3-octanol

: 77-92-9
citric acid

: 7147-34-4
tris(2-ethylhexyl)propane-1,2,3-tricarboxylate

Conditions

Conditions	Yield
With tetrabutoxytitanium at 170 - 220℃; for 4.5h; Inert atmosphere; Large scale;	99%

: 589-98-0
rac-3-octanol

: 124-63-0
methanesulfonyl chloride

: 3-octyl methanesulfonate

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; triethylamine In toluene at 20 - 25℃; for 1h; Inert atmosphere;	98%
With trimethylamine hydrochloride; triethylamine In toluene at 0 - 5℃; for 1h;	94%
With N,N,N',N'-tetramethylhexamethylenediamine In toluene at 0 - 5℃; for 1h; mesylation;	94%
With triethylamine In dichloromethane at 20℃; Sealed tube;

: 38460-95-6
undec-10-enoyl chloride

: 589-98-0
rac-3-octanol

: 3-octyl 10-undecenoate

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 0 - 25℃; for 2h;	98%

: 589-98-0
rac-3-octanol

: di(ethyl hexyl) amine

Conditions

Conditions	Yield
With urea In 1,3,5-trimethyl-benzene at 141℃; under 760.051 Torr; for 20h; Inert atmosphere;	98%

: 589-98-0
rac-3-octanol

: 106-68-3
3-octanone

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hypochlorite pentahydrate; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane at 5℃; for 1h; Temperature;	97%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hypochlorite pentahydrate; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane at 5℃; for 0.5h;	96%
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; periodic acid In dichloromethane at 20℃; for 0.75h;	95%

: 589-98-0
rac-3-octanol

: 7623-09-8
2-chloropropionyl chloride

: 3-octyl 2-chloropropanoate

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 0 - 25℃; for 2h;	97%

: 589-98-0
rac-3-octanol

: 98-59-9
p-toluenesulfonyl chloride

: 4883-87-8
octan-3-yl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylhexamethylenediamine; triethylamine In acetonitrile at 0 - 20℃; for 4h; Tosylation;	95%
With 1-methyl-1H-imidazole; triethylamine In toluene at 20 - 25℃; for 1h; Inert atmosphere;	94%
With trimethylamine hydrochloride; triethylamine In dichloromethane at 0 - 5℃; for 1h;	93%

: 589-98-0
rac-3-octanol

: 62-53-3
aniline

: 343947-80-8
C14H23N

Conditions

Conditions	Yield
In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 12h; Inert atmosphere;	94.7%
With [RuCl(p-cymene)(1,3-dibenzylbenzimidazolin-2-ylidene)(PPh3)]PF6 In neat (no solvent) at 130℃; for 18h; Reagent/catalyst;	49%

: 589-98-0
rac-3-octanol

A: 106-68-3
3-octanone

B: 4864-61-3
1-ethylhexyl acetate

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide In acetic acid for 10h; Ambient temperature;	A 94% B 6%

: 589-98-0
rac-3-octanol

: 2719-27-9
cyclohexanylcarbonyl chloride

: 3-octyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In potassium hydroxide at 20 - 25℃; for 2h; pH=11.5; Schotten-Baumann-type reaction;	94%
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 0 - 25℃; for 2h;	94%

: 589-98-0
rac-3-octanol

: 125995-00-8
(S)-(-)-3,3,3-Trifluormilchsaeure

: 3-octyl 3,3,3-trifluoro-2-hydroxypropionate

Conditions

Conditions	Yield
In benzene Esterification; Heating;	92%

: 110-87-2
3,4-dihydro-2H-pyran

: 589-98-0
rac-3-octanol

: 2-(1-ethyl-hexyloxy)-tetrahydro-pyran

Conditions

Conditions	Yield
bismuth(III) nitrate In dichloromethane at 20℃; for 0.3h;	90%
With dimethylbromosulphonium bromide at 20℃; for 0.0833333h;	87%
With zinc tetrafluoroborate In dichloromethane; water at 20℃; for 0.166667h;	87%

: 108-31-6
maleic anhydride

: 589-98-0
rac-3-octanol

: 142-16-5
bis(2-ethylhexyl) maleate

Conditions

Conditions	Yield
With sulfuric acid; 2,6-di-tert-butyl-4-hydroxytoluene In benzene at 90℃; for 2.5h; Heating / reflux;	90%

: 589-98-0
rac-3-octanol

: 7065-46-5
3,3-dimethylbutanoic acid chloride

: 3-octyl 3,3-dimethylbutanoate

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In potassium hydroxide at 20 - 25℃; for 2h; pH=11.5; Schotten-Baumann-type reaction;	89%

: 589-98-0
rac-3-octanol

: 98-88-4
benzoyl chloride

: 102245-28-3
octan-3-yl benzoate

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 0 - 25℃; for 2h;	89%
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In potassium hydroxide at 20 - 25℃; for 1.5h; pH=11.5; Schotten-Baumann-type reaction;	72%

: 589-98-0
rac-3-octanol

: Natrium-n-Octylsulfat-(3)

Conditions

Conditions	Yield
Stage #1: rac-3-octanol With sodium hydride In 1,4-dioxane at 20℃; for 1h; Stage #2: With triethylamine sulfurtrioxide In 1,4-dioxane at 20℃;	87%

: 589-98-0
rac-3-octanol

: 5394-63-8
2,2,6-trimethyl-4H-1,3-dioxin-4-one

: 96453-22-4
Methyl-2-n-Heptyl Acetoacetate

Conditions

Conditions	Yield
In xylene at 150℃; for 0.5h;	86%

: 589-98-0
rac-3-octanol

: 645-45-4
hydrocinnamic acid chloride

: 3-octyl 3-phenylpropanoate

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 0 - 5℃; for 1h;	86%
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In potassium hydroxide at 20 - 25℃; for 1.5h; pH=11.5; Schotten-Baumann-type reaction;	85%

: 589-98-0
rac-3-octanol

: 21129-09-9
tetradecane-1,2-diol

A: 106-68-3
3-octanone

B: 1120-36-1
1-tetradecene

Conditions

Conditions	Yield
With methyltrioxorhenium(VII) In dodecane at 80 - 175℃; Catalytic behavior; Kinetics; Temperature;	A n/a B 85%

...Expand

: 589-98-0
rac-3-octanol

: diethyl 2-[(4-methoxyphenoxy)methyl]pyrimidine-4,6-dicarboxylate

: di(octan-3-yl) 2-[(4-methoxyphenoxy)methyl]pyrimidine-4,6-dicarboxylate

Conditions

Conditions	Yield
With sulfuric acid at 100℃; for 3h; Inert atmosphere;	84%

: 589-98-0
rac-3-octanol

: 74403-67-1
rac-3-octyl sulfate

Conditions

Conditions	Yield
With triethylamine sulfur trioxide	83%
With triethylamine sulfur trioxide

: 589-98-0
rac-3-octanol

: 90-43-7
2-Phenylphenol

: 2-biphenyl 3-octyl ether

Conditions

Conditions	Yield
Mitsunobu Displacement; Sonication;	83%

: 589-98-0
rac-3-octanol

: 104-94-9
4-methoxy-aniline

: 4-methoxy-N-(octan-3-yl)aniline

Conditions

Conditions	Yield
With Knoelker’s complex; silver fluoride In toluene at 110℃; for 48h; Inert atmosphere; Sealed tube;	82%

: 589-98-0
rac-3-octanol

: 814-68-6
acryloyl chloride

: octane-3-yl acrylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃;	81%

3-Octanol Specification

The 3-Octanol is an organic compound with the formula C₈H₁₈O. The IUPAC name of this chemical is octan-3-ol. With the CAS registry number 589-98-0, it is also named as n-Octan-3-ol. The product's category is Alcohol Flavor. Besides, it is a clear colorless liquid, which should be stored in a closed cool and dry place. It is commonly used as flavor in the mushrooms, cheese, mint and herbs.

Physical properties about 3-Octanol are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.41; (5)ACD/BCF (pH 7.4): 81.41; (6)ACD/KOC (pH 5.5): 811.45; (7)ACD/KOC (pH 7.4): 811.45; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.426; (13)Molar Refractivity: 40.6 cm³; (14)Molar Volume: 158.4 cm³; (15)Polarizability: 16.09×10^-24cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.821 g/cm³; (18)Flash Point: 65.6 °C; (19)Enthalpy of Vaporization: 47.21 kJ/mol; (20)Boiling Point: 169 °C at 760 mmHg; (21)Vapour Pressure: 0.512 mmHg at 25°C.

Preparation: this chemical can be prepared by octan-3-one. This reaction will need reagent LiAlH4, N-ethylaniline, (1R,2S)-N-methylephedrine and solvent diethyl ether. The reaction time is 4 hours with reaction temperature of -78 °C. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CC)CCCCC
(2)InChI: InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
(3)InChIKey: NMRPBPVERJPACX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
(5)Std. InChIKey: NMRPBPVERJPACX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 881, 1979.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 881, 1979.

Product Name

3-Octanol

Synthetic route

3-Octanol Specification

Related Products

Hot Products