3,7-Dimethyl-7-hydroxyoctanal supplier

Name
3,7-Dimethyl-7-hydroxyoctanal
EINECS 203-518-7
CAS No. 107-75-5
Article Data15
CAS DataBase
Density 0.912 g/cm³
Solubility 35g/L at 20℃
Melting Point 19oC
Formula C₁₀H₂₀O₂
Boiling Point 251.6 °C at 760 mmHg
Molecular Weight 172.268
Flash Point 103.8 °C
Transport Information
Appearance clear colourless liquid
Safety 26-39
Risk Codes 38-41
Molecular Structure
Hazard Symbols Xi
Synonyms Octanal,7-hydroxy-3,7-dimethyl-;3,7-Dimethyl-7-hydroxyoctanal;7-Hydroxy-3,7-dimethyloctanal;7-Hydroxycitronellal;Citronellal hydrate;Citronellal, hydroxy-;Cyclalia;Cyclosia;Cyclosia base;Fixol;Laurine;Lilyl aldehyde;Muguet synthetic;Muguettine principle;NSC 406740;Phixia;
PSA 37.30000
LogP 2.15270

Synthetic route

: 2385-77-5
(R)-Citronellal

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
With sodium hydrogensulfite Behandeln des Addukts mit Schwefelsaeure und Behandeln des Reaktionsprodukts mit wss.Natriumcarbonat;

: 68797-68-2
7-hydroxy-3,7-dimethyloctanenitrile

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
With acetic acid; zinc; cob(I)alamin Ambient temperature;

: 67-56-1
methanol

: 123366-53-0, 1723-79-1
N-(3,7-dimethyl-1,6-octadienyl)-piperidine

A: 106-23-0, 26489-02-1
3,7-dimethyl-oct-6-enal

B: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

C: 3613-30-7
7-methoxy-3,7-dimethyloctanal

Conditions

Conditions	Yield
at 25℃; for 3h; Product distribution; in function of quantity of methanol and sulphuric acid;

...Expand

: 67-56-1
methanol

: 42822-94-6
N-(3,7-dimethyl-1,6-octadienyl)-morpholine

A: 106-23-0, 26489-02-1
3,7-dimethyl-oct-6-enal

B: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

C: 3613-30-7
7-methoxy-3,7-dimethyloctanal

Conditions

Conditions	Yield
at 25℃; for 3h; Product distribution; in function of quantity of methanol and sulphuric acid;

...Expand

: 67-56-1
methanol

: 42822-96-8
2-(2,6-dimethyl-5-heptenyl)-3-oxazolidineethanol

A: 106-23-0, 26489-02-1
3,7-dimethyl-oct-6-enal

B: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

C: 3613-30-7
7-methoxy-3,7-dimethyloctanal

Conditions

Conditions	Yield
at 25℃; for 3h; Product distribution; in function of quantity of methanol and sulphuric acid;

...Expand

: 98206-63-4, 122612-23-1, 107-74-4
7-hydroxycitronellol

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
With sodium hypochlorite; ruthenium(IV) oxide In tetrachloromethane; water at 60 - 65℃; Yield given;

: 55035-66-0
trans-2-hydroxy-2,3-dihydrocitral

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
With hydrogen; potassium iodide; kieselguhr; nickel In isopropyl alcohol under 112509 Torr; Yield given;

: 141-27-5
3,7-dimethyl-2,6-octadienal

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium sulfite, 25percent sulfuric acid / H2O / 15 - 20 °C 2: sulfuric acid / H2O / 18 - 20 °C 3: 20percent sodium hydroxide / H2O / 5 - 7 °C 4: H2, potassium iodide / 50percent nickel/kieselguhr / aq. propan-2-ol / 112509 Torr View Scheme

: 72172-53-3
1-Hydroxy-3,7-dimethyl-6-octen-1,3-disulfonsaeure

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sulfuric acid / H2O / 18 - 20 °C 2: 20percent sodium hydroxide / H2O / 5 - 7 °C 3: H2, potassium iodide / 50percent nickel/kieselguhr / aq. propan-2-ol / 112509 Torr View Scheme

: 128935-79-5
C10H20O8S2(2-)*2Na(1+)

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 20percent sodium hydroxide / H2O / 5 - 7 °C 2: H2, potassium iodide / 50percent nickel/kieselguhr / aq. propan-2-ol / 112509 Torr View Scheme

: 42822-96-8
2-(2,6-dimethyl-5-heptenyl)-3-oxazolidineethanol

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

Conditions

Conditions	Yield
With sodium hydroxide In water at 25℃; pH=6.5; Pressure; Temperature; Cooling with ice;

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 17857-14-6
(3-carboxypropyl)(triphenyl)phosphonium bromide

: (Z)-11-hydroxy-7,11-dimethyldodec-4-enoic acid

Conditions

Conditions	Yield
Stage #1: (3-carboxypropyl)(triphenyl)phosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: 7-hydroxy-3,7-dimethyl-octanal In tetrahydrofuran at 0 - 20℃; for 6h; Wittig Olefination; Inert atmosphere;	99%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 98206-63-4, 122612-23-1, 107-74-4
7-hydroxycitronellol

Conditions

Conditions	Yield
With trimethylamine-N-oxide; sodium formate; C34H44FeN4O4(2+)*2I(1-) In water at 80℃; for 24h; Inert atmosphere; Schlenk technique;	98%
With water; magnesium; cadmium(II) chloride In tetrahydrofuran for 0.25h;	95%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 13074-39-0
N-(2-adamantyl)amine

: 8-(adamantan-2-ylimino)-2,6-dimethyloctan-2-ol

Conditions

Conditions	Yield
In methanol at 20℃; for 12h;	97%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 98-54-4
para-tert-butylphenol

: C20H32O3

Conditions

Conditions	Yield
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; [nickel(II) (4,4'-di-tert-butyl-2,2'-bipyridine)(bromide)2] In ethyl acetate at 20℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation; Glovebox;	97%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 125658-08-4
5,6-Dimethyl-6-amino-1,3-diazaadamantane

: 8-[(5,7-dimethyl-1,3-diazaadamantan-6-yl)amino]-2,6-dimethyloctan-2-ol

Conditions

Conditions	Yield
Stage #1: 7-hydroxy-3,7-dimethyl-octanal; 5,6-Dimethyl-6-amino-1,3-diazaadamantane In methanol at 20℃; for 3h; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 1.5h;	95%
Stage #1: 7-hydroxy-3,7-dimethyl-octanal; 5,6-Dimethyl-6-amino-1,3-diazaadamantane In methanol for 4h; Stage #2: With sodium tetrahydroborate In methanol for 1.5h;	93%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 1,5-dimethyl-9-oxo-3,7-diazabicyclo-<3.3.1>nonane dihydrochloride

: 2-(6-hydroxy-2,6-dimethylheptyl)-5,7-dimethyl-1,3-diazaadamantan-6-one

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃;	95%
With triethylamine In methanol

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 768-94-5
1-Adamantanamine

: 8-(adamantan-1-ylimino)-2,6-dimethyloctan-2-ol

Conditions

Conditions	Yield
In methanol at 20℃; for 12h;	95%

: potassium cyanide

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 2,8-dihydroxy-4,8-dimethylnonanenitrile

Conditions

Conditions	Yield
With carbon dioxide In ethanol at 20℃; under 760.051 Torr; for 18h; Sealed tube;	95%

: 50-00-0
formaldehyd

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 22414-67-1
3,7-dimethyl-2-methylene-7-hydroxyoctanal

Conditions

Conditions	Yield
With dibutylamine; hexanoic acid In water at 95℃; for 0.666667h;	92%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: hydroxycitronellal oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium carbonate In ethanol; water at 60℃; for 8h;	90%

: 123-75-1
pyrrolidine

: 253-52-1
PHTHALAZINE

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: C22H33NO

Conditions

Conditions	Yield
With 9,10-dimethyl-9,10-dibora-9,10-dihydroanthracene In tetrahydrofuran at 60℃; for 15h; Inert atmosphere; Glovebox;	89%

...Expand

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 436799-32-5
5-bromo-2(trifluoromethyl)pyridine

: 7-hydroxy-3,7-dimethyl-1-(6-(trifluoromethyl)pyridin-3-yl)octan-1-one

Conditions

Conditions	Yield
With Quinuclidine; [nickel(II) (4,4'-di-tert-butyl-2,2'-bipyridine)(bromide)2]; [Ir(C6H2F2-C5H3NCF3)2(4,4′-di-tert-butyl-2,2′-dipyridyl)]; potassium carbonate In 1,4-dioxane at 20℃; for 20h; Inert atmosphere; Sealed tube; Irradiation;	87%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 150-13-0
4-amino-benzoic acid

: 90058-68-7
1-carboxy-4-<(7-hydroxy-3,7-dimethyloctylidene)amino>benzene

Conditions

Conditions	Yield
In benzene Heating;	86%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 68797-68-2
7-hydroxy-3,7-dimethyloctanenitrile

Conditions

Conditions	Yield
With O-(4-(trifluoromethyl)benzoyl)hydroxylamine; [(1R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid In methanol at 20℃; for 24h;	86%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 74-88-4
methyl iodide

: 3613-30-7
7-methoxy-3,7-dimethyloctanal

Conditions

Conditions	Yield
With sodium In benzene for 1h; Heating;	85%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 141-82-2
malonic acid

: 1082301-20-9
(E)-9-hydroxy-5,9-dimethyl-dec-3-enoic acid

Conditions

Conditions	Yield
With piperidine; acetic acid In dimethyl sulfoxide at 20 - 100℃; Knoevenagel condensation; Inert atmosphere;	85%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 7-hydroxycitronellic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; 7-(trifluoromethyl)-1,10-ethyleneisoalloxazinium chloride In water; acetonitrile at 85℃; for 18h;	85%
With air at 21℃; for 2h;

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 62-53-3
aniline

: 90058-71-2
4-<(7-hydroxy-3,7-dimethyloctylidene)amino>benzene

Conditions

Conditions	Yield
In benzene Heating;	83%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 2446-83-5
di-isopropyl azodicarboxylate

: dipropan-2-yl 1-(7-hydroxy-3,7-dimethyloctanoyl)hydrazine-1,2-dicarboxylate

Conditions

Conditions	Yield
In water at 21℃; for 24h;	82%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 6228-47-3
n-propyltriphenylphosphonium bromide

: C13H26O

Conditions

Conditions	Yield
Stage #1: n-propyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0 - 20℃; for 0.25h; Stage #2: 7-hydroxy-3,7-dimethyl-octanal In tetrahydrofuran at 0 - 20℃; for 5h;	82%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 452905-58-7
ethenesulfonic acid pentafluorophenyl ester

: pentafluorophenyl 9-hydroxy-5,9-dimethyl-3-oxodecane-1-sulfonate

Conditions

Conditions	Yield
In water at 21℃; for 6h;	81%
With 2,2'-azobis(isobutyronitrile) In benzene at 40℃; Inert atmosphere;	64%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 75-03-6
ethyl iodide

: 3613-33-0
7-ethoxy-3,7-dimethyl-1-octanal

Conditions

Conditions	Yield
With sodium In benzene for 1h; Heating;	80%

: 621-23-8
1,2,3-trimethoxybenzene

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: C19H32O4

Conditions

Conditions	Yield
Stage #1: 1,2,3-trimethoxybenzene; 7-hydroxy-3,7-dimethyl-octanal With copper(II) bis(trifluoromethanesulfonate); ethanethiol In 2,2,2-trifluoroethanol at 20℃; for 2h; Stage #2: With triethylsilane In 2,2,2-trifluoroethanol at 20℃; for 1h;	79%
Multi-step reaction with 2 steps 1: copper(II) bis(trifluoromethanesulfonate) / 2,2,2-trifluoroethanol / 2 h / 20 °C 2: copper(II) bis(trifluoromethanesulfonate); triethylsilane / 2,2,2-trifluoroethanol / 1 h / 20 °C View Scheme

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 17814-85-6
(4-carboxybutyl)triphenylphosphonium bromide

: (Z)-12-hydroxy-8,12-dimethyltridec-5-enoic acid

Conditions

Conditions	Yield
Stage #1: (4-carboxybutyl)triphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: 7-hydroxy-3,7-dimethyl-octanal In tetrahydrofuran at 0 - 20℃; for 17h; Wittig Olefination; Inert atmosphere;	79%

: 110-91-8
morpholine

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: C14H27NO2

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In ethyl acetate at 15℃; for 0.5h; Reflux;	79%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 106-47-8
4-chloro-aniline

: 90058-72-3
1-chloro-4-<(7-hydroxy-3,7-dimethyloctylidene)amino>benzene

Conditions

Conditions	Yield
In benzene Heating;	78%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 1613376-54-7
tert-butyl (naphthalen-2-yl(phenyl)methyl)carbonate

: 8-hydroxy-4,8-dimethyl-1-(naphthalen-2-yl)-1-phenylnonan-2-one

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; palladium(II) trifluoroacetate; 3-(2,4,6-trimethyl-phenyl)-5,6,7,8-tetrahydro-4H-cycloheptathiazol-3-ium perchlorate; potassium carbonate In tetrahydrofuran at 60℃; for 12h; Inert atmosphere; Sealed tube;	78%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 134-20-3
2-carbomethoxyaniline

: 89-43-0
methyl-N-3,7-dimethyl-7-hydroxyoctylidene anthranilate

Conditions

Conditions	Yield
at 90℃; for 1h; Time;	77.57%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 530-47-2
N,N-diphenylhydrazine hydrochloride

: (E)-8-(2,2-diphenylhydrazono)-2,6-dimethyloctan-2-ol

Conditions

Conditions	Yield
With sodium acetate; magnesium sulfate In dichloromethane at 20℃; Inert atmosphere;	76%

3,7-Dimethyl-7-hydroxyoctanal Chemical Properties

Molecule structure of 3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5):

IUPAC Name: 7-Hydroxy-3,7-dimethyloctanal
Molecular Weight: 172.2646 g/mol
Molecular Formula: C₁₀H₂₀O₂
Density: 0.912 g/cm³
Boiling Point: 251.6 °C at 760 mmHg
Flash Point: 103.8 °C
Index of Refraction: 1.442
Molar Refractivity: 50.02 cm³
Molar Volume: 188.8 cm³
Polarizability: 19.83×10^-24 cm³
Surface Tension: 31.6 dyne/cm
Enthalpy of Vaporization: 56.8 kJ/mol
Vapour Pressure: 0.00318 mmHg at 25 °C
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 172.14633
MonoIsotopic Mass: 172.14633
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Complexity: 130
Canonical SMILES: CC(CCCC(C)(C)O)CC=O
InChI: InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
InChIKey: WPFVBOQKRVRMJB-UHFFFAOYSA-N
EINECS: 203-518-7
Product Categories: Aroma Chemicals; Alphabetical Listings; Flavors and Fragrances; G-H

3,7-Dimethyl-7-hydroxyoctanal Uses

3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5) is a multi-purpose spice, either for a variety of floral, but also for many non-flower.

3,7-Dimethyl-7-hydroxyoctanal Toxicity Data With Reference

skn-rbt 500 mg/24H

FCTXAV Food and Cosmetics Toxicology. 12 (1974),921.

3,7-Dimethyl-7-hydroxyoctanal Consensus Reports

Reported in EPA TSCA Inventory.

3,7-Dimethyl-7-hydroxyoctanal Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 38-41
R38:Irritating to skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
WGK Germany: 1
RTECS: RG7850000
A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.

3,7-Dimethyl-7-hydroxyoctanal Specification

3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5) is also named as 1-Octanal, 3,7-dimethyl-7-hydroxy- ; 3,7-Dimethyl-7-hydroxyoctanal ; 4-01-00-04058 (Beilstein Handbook Reference) ; 7-Hydroxy-3,7-dimethyloctan-1-al ; 7-Hydroxy-3,7-dimethyloctanal ; 7-3,7-Dimethyl-7-hydroxyoctanal ; AI3-05823 ; BRN 1721290 ; Citronellal hydrate ; Citronellal, hydroxy- ; Cyclalia
Cyclosia ; FEMA No. 2583 ; Fixol ; Laurine ; Lilyl aldehyde ; Muguet synthetic ; Muguettine principle ; Musuet synthetic ; Musuettine principle ; NSC 406740 ; Octanal, 7-hydroxy-3,7-dimethyl- ; Oxydihydrocitronellal ; Phixia . 3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5) is clear colourless liquid.

Product Name

3,7-Dimethyl-7-hydroxyoctanal

Synthetic route

3,7-Dimethyl-7-hydroxyoctanal Chemical Properties

3,7-Dimethyl-7-hydroxyoctanal Uses

3,7-Dimethyl-7-hydroxyoctanal Toxicity Data With Reference

3,7-Dimethyl-7-hydroxyoctanal Consensus Reports

3,7-Dimethyl-7-hydroxyoctanal Safety Profile

3,7-Dimethyl-7-hydroxyoctanal Specification

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