Geranyl acetate supplier | CasNO.105-87-3

Name
Geranyl acetate
EINECS 203-341-5
CAS No. 105-87-3
Article Data184
CAS DataBase
Density 0.904 g/cm³
Solubility < 0.1 g/100 mL at 20 °C in water
Melting Point < 25 °C
Formula C₁₂H₂₀O₂
Boiling Point 247.5 °C at 760 mmHg
Molecular Weight 196.29
Flash Point 98.9 °C
Transport Information
Appearance clear colorless liquid
Safety 26-36-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,6-Octadien-1-ol, 3, 7-dimethyl-, acetate, trans-;3,7-Dimethyl-2,6-octadien-1-ol acetate;trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate;2,6-Octadien-1-ol, 3, 7-dimethyl-, acetate, (E)-;Acetic acid geraniol ester;Bay pine (oyster) oil;2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-;Geraniol acetate;3,7-Dimethyl-2-trans, 6-octadienyl acetate;NCI-C54728;Natural Geranyl Acetate;FEMA No. 2509;
PSA 26.30000
LogP 3.24220

Synthetic route

: 106-24-1
Geraniol

: 108-24-7
acetic anhydride

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With pyridine Ambient temperature;	100%
With pyridine In tetrahydrofuran at 0 - 20℃; Acetylation;	100%
With pyridine; dmap at 20℃; for 1h; Acetylation;	99%

: 108-05-4
vinyl acetate

: 106-24-1
Geraniol

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With dilithium tetra(tert-butyl)zincate In toluene at 0℃; for 1h; Inert atmosphere;	100%
With N,N'-bismesityl-imidazol-2-ylidene In tetrahydrofuran at 20℃; for 1h;	99%
1,3-bis(2,4,6-trimethyl-phenyl)imidazol-2-ylidene In tetrahydrofuran at 20℃; for 1h;	99%

: 106-24-1
Geraniol

: 64-19-7
acetic acid

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With Candida antarctica lipase B at 50℃; for 4h; Molecular sieve; Ionic liquid; Green chemistry; Enzymatic reaction;	99.9%
With hydroquinone at 120℃; Temperature; Reagent/catalyst;	99.2%
With 1,3-propanesultone; N-ethyl-N-methylbutan-1-amine; toluene-4-sulfonic acid at 110℃; for 2h; Temperature; Reagent/catalyst;	97%

: 106-24-1
Geraniol

: 75-36-5
acetyl chloride

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With potassium fluoride on basic alumina In toluene for 2h;	98%
With dmap; triethylamine at 0℃; for 3h;	94%
With pyridine at 0 - 20℃; for 5h;	84%
With pyridine	72%

: 106-24-1
Geraniol

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With pyridine; dmap; acetic anhydride	98%
With acetic acid at 110℃; for 2h;	96.8%
Multi-step reaction with 2 steps 1: pyridine; phosphorus tribromoide View Scheme

: 106-24-1
Geraniol

: 141-78-6
ethyl acetate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With N,N'-biscyclohexyl-imidazol-2-ylidene; 5A molecular sieve In tetrahydrofuran at 20℃; for 0.5h;	97%
With caesium carbonate at 125℃; for 25h;	97%
With heterogeneous zinc/imidazole catalyst at 90℃; for 5h; Inert atmosphere; Schlenk technique;	94%

: 106-24-1
Geraniol

: 110-19-0
2-methylpropyl acetate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With caesium carbonate at 125℃; for 30h;	96%

: 106-25-2
Nerol

: 106-24-1
Geraniol

: 108-24-7
acetic anhydride

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With Tri-n-octylamine; dmap at 125℃; for 1h; Heating / reflux;	92%

...Expand

: 106-25-2
Nerol

: 141-78-6
ethyl acetate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With aluminum oxide at 25 - 30℃; for 1h;	91%

: Acetic acid (4S,5S)-2-methoxy-5-methyl-5-(4-methyl-pent-3-enyl)-[1,3]dioxolan-4-ylmethyl ester

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
In acetic anhydride for 6h; Heating;	90%

: 106-24-1
Geraniol

: 581-55-5
benzylidene 1,1-diacetate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With potassium carbonate at 90℃; for 16h;	89%

: 24529-80-4
(E)-1-O-acetyl-4-chloro-3-methyl-2-buten-1-ol

: 35189-96-9
3-methyl-2-butenylmagnesium chloride

A: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

B: 25905-14-0
lavandulyl acetate

Conditions

Conditions	Yield
With CuCN*2LiCl In tetrahydrofuran at 0℃; for 0.3h;	A 8% B 88%

...Expand

: 127-08-2
potassium acetate

: tetrafluoroborate de dimethylgeranylsulfonium

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	88%

: 106-25-2
Nerol

: 75-36-5
acetyl chloride

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With pyridine for 24h; Ambient temperature;	87%

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 64-19-7
acetic acid

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone for 1h; Heating;	87%

: 59632-99-4
geranyl 2-tetrahydropyranyl ether

: 108-24-7
acetic anhydride

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With zirconium(IV) chloride In acetonitrile at 20℃; for 0.166667h;	83%
With titanium tetrachloride In dichloromethane at 0 - 25℃; for 6h; Acetylation;	80%

: 59632-99-4
geranyl 2-tetrahydropyranyl ether

: 141-78-6
ethyl acetate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With indium (III) iodide for 12h; Heating;	78%

: 70473-30-2
(E)-1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene

: 141-78-6
ethyl acetate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With indium (III) iodide for 15h; Heating;	78%

: 106-24-1
Geraniol

: 75178-12-0
2,2'-bipyridyl-6-yl acetate

A: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

B: 101001-90-5
<2,2'-bipyridin>-6(1H)-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile for 72h; Ambient temperature;	A 77% B n/a

...Expand

: 62796-78-5
1-acetyl-2,3-dihydro-5,7-dinitroindole

: 106-24-1
Geraniol

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
In acetonitrile for 16h; UV-irradiation;	72%

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 108-24-7
acetic anhydride

A: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

B: 115-95-7
linalool acetate

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) at -20℃; for 2.5h;	A 8 % Spectr. B 68%
With scandium tris(trifluoromethanesulfonate) at -20℃; for 2.5h;	A 8% B 68%
With trimethylsilyl trifluoromethanesulfonate at -20 - 0℃; Product distribution;

...Expand

: 115-18-4
2-methyl-3-buten-2-ol

: 5205-07-2
3-methyl-3-buten-1-yl acetate

A: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

B: 69301-55-9
1-Acetoxy-3,7-dimethyl-6-octen-3-ol

C: 20776-25-4
7-Methyl-3-methylen-6-octenolacetat

D: 58336-04-2
Acetic acid (E)-3,7-dimethyl-octa-3,6-dienyl ester

Conditions

Conditions	Yield
With methanesulfonic acid In nitromethane at 0℃; for 1.5h;	A n/a B 61% C n/a D n/a

...Expand

: 64-17-5
ethanol

: 106-24-1
Geraniol

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With potassium tert-butylate In 1,4-dioxane at 120℃; for 50h;	58%

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 75-05-8
acetonitrile

A: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

B: 94597-74-7
(E)-N‐(3,7-dimethylocta‐2,6‐dien‐1‐yl)acetamide

Conditions

Conditions	Yield
With acetic anhydride; CoCl2 at 80℃; for 20h;	A n/a B 52%

...Expand

: 35162-74-4
geranyl phenyl sulfide

: 108-24-7
acetic anhydride

: 64-19-7
acetic acid

A: 123-35-3
7-methyl-3-methene-1,6-octadiene

B: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

C: 3338-55-4
(Z)-ocimene

Conditions

Conditions	Yield
With lithium acetate; copper diacetate; copper at 85 - 90℃;	A n/a B 43% C n/a

...Expand

: 73537-32-3
trans-7-acetoxy-1,1,5-trimethyl-2-phenylselenyloct-5-en-1-ol

A: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

B: 73527-20-5, 85545-22-8, 122273-92-1
2-acetoxymethyl-3-hydroxy-1,1,3-trimethyl-6-phenylselenylcyclohexane

Conditions

Conditions	Yield
formic acid In dichloromethane at 0℃; for 2.5h;	A 14.6% B 19.3%
formic acid In dichloromethane at 0℃; for 2.5h; Product distribution; various acid catalysts;	A 14.6% B 19.3%

: 6138-90-5
geranyl bromide

: 127-09-3
sodium acetate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 108-24-7
acetic anhydride

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 854459-63-5
2-(1,1-dimethyl-allyl)-3-methyl-butane-1,3-diol

: 108-24-7
acetic anhydride

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

Conditions

Conditions	Yield
With pyridine at 160℃; Erhitzen des Reaktionsprodukts auf 350grad;

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 1889-20-9
n-butylmagnesium iodide

: 62947-42-6
(6E)-2,6-dimethyl-2,6-dodecadiene

Conditions

Conditions	Yield
With ortho-N,N-dimethylamino benzylthiolatocopper(I) In tetrahydrofuran; toluene at -30℃; for 0.0833333h;	100%
With [CuSC6H4(CH2NMe2)-2]3 In tetrahydrofuran at -30℃; for 0.0833333h;
2-[(dimethylamino)methyl]-1-thiophenolato-copper(I) In tetrahydrofuran at -30℃; for 0.0833333h; Yield given;

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 1889-20-9
n-butylmagnesium iodide

: 69747-29-1
2,6-dimethyl-6-ethenyl-2-decene

Conditions

Conditions	Yield
With ortho-N,N-dimethylamino benzylthiolatocopper(I) In diethyl ether at 0℃; for 2h; Product distribution; Mechanism; var. arenethiolatocopper(I) cat., solvent, time, temp.;	100%
With ortho-N,N-dimethylamino benzylthiolatocopper(I) In diethyl ether; toluene at 0℃; for 2h;	100%
With [CuSC6H4(CH2NMe2)-2]3 In diethyl ether at 0℃; for 2h;
2-[(dimethylamino)methyl]-1-thiophenolato-copper(I) In diethyl ether at 0℃; for 2h; Yield given;

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 37715-31-4
(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl acetate

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at -20 - 20℃; for 2h;	100%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0℃; for 1h;	99%
With sodium acetate In dichloromethane at 0℃; for 2h;	98%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 106-24-1
Geraniol

Conditions

Conditions	Yield
With potassium carbonate In methanol at 25℃; for 0.166667h;	99%
With methanol at 80℃; for 6h; Inert atmosphere; Schlenk technique;	99%
With methanol; oxo[hexa(trifluoroacetato)]tetrazinc for 12h; Reflux; Inert atmosphere;	96%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 130826-84-5
(2E)-acetic acid 6-bromo-7-hydroxy-3,7-dimethyl-oct-2-enyl ester

Conditions

Conditions	Yield
With N-Bromosuccinimide In 1,4-dioxane; water at 0 - 20℃; for 5h;	98%
With [bis(acetoxy)iodo]benzene; water; lithium bromide In acetonitrile at -10℃; for 0.25h; Inert atmosphere; regioselective reaction;	70%
With N-Bromosuccinimide In water; tert-butyl alcohol
With N-Bromosuccinimide; water In 1,2-dimethoxyethane at 0℃; for 2h;
With N-Bromosuccinimide; water In tetrahydrofuran for 0.75h;

: 110-91-8
morpholine

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 112130-32-2
(E)-4-(3,7-dimethylocta-2,6-dienyl)morpholine

Conditions

Conditions	Yield
bis(η3-allyl-μ-chloropalladium(II)); 1,2-bis(diphenylphosphino)-1'-(diisopropylphosphino)-3',4-di-tert-butyl ferrocene In toluene at 20℃; for 20h;	98%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 75107-39-0
(E)-6,7-dibromo-3,7-dimethyloct-2-en-1-yl acetate

Conditions

Conditions	Yield
With 3-(trimethylsilyl)-2-oxazolidinone; hydrogen bromide In dichloromethane at 0℃; for 0.5h;	97%
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; cetyltrimethylammonim bromide In dichloromethane; chloroform	95%
With [bis(acetoxy)iodo]benzene; lithium bromide In acetonitrile at 0℃; for 0.0833333h; Reagent/catalyst; Inert atmosphere; Molecular sieve; chemoselective reaction;	91%
With [bis(acetoxy)iodo]benzene; lithium bromide In acetonitrile at 0℃; for 0.0833333h; Inert atmosphere; Molecular sieve; regioselective reaction;	91%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 67-66-3
chloroform

: 123861-41-6
(2,2-dichloro-3,3-dimethylcycloprop-1-yl)-3-methylpent-2-en-1-yl acetate

Conditions

Conditions	Yield
With potassium hydroxide; tert-butylammonium hexafluorophosphate(V) In benzene at 15℃; for 6h;	97%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 824-94-2
p-methoxybenzyl chloride

: 38011-83-5
trans-1-(4,8-dimethylnona-3,7-dien-1-yl)-4-methoxybenzene

Conditions

Conditions	Yield
Stage #1: p-methoxybenzyl chloride With magnesium; ethylene dibromide In tetrahydrofuran at 0 - 25℃; Inert atmosphere; Stage #2: 3,7-dimethyl-2E,6-octadien-1-yl acetate With lithium chloride; copper dichloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; iso-butanol at -10 - 0℃; for 3.33333h; Inert atmosphere;	97%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 86561-84-4
essigsaeure-<(E,R)-6,7-dihydroxy-3,7-dimethyl-2-octenyl>ester

Conditions

Conditions	Yield
With methanesulfonamide; AD-mix-β In tert-butyl alcohol at 0℃; for 24h; Sharpless Dihydroxylation; enantioselective reaction;	96%
With potassium osmate(VI) dihydrate; methanesulfonamide; potassium carbonate; (9S,9"S)-9,9"-[phthalazine-1,4-diylbis-(oxy)]bis[10,11-dihydro-6'-methoxycinchonane]; potassium hexacyanoferrate(III) In water; tert-butyl alcohol at 4℃; for 24h; Sharpless Dihydroxylation; Inert atmosphere;	85%
With AD-mi-β; water; tert-butyl alcohol at 0℃; for 15h;	80%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

A: 110109-68-7
7-chloro-3,7-dimethyl-2E-octen-1-yl acetate

B: 103784-72-1
1,7-dichloro-3,7-dimethyloct-2(E)-ene

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; for 0.25h;	A 96% B 2%
With hydrogenchloride In diethyl ether at -78℃;	A 68% B 5%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 143-66-8
sodium tetraphenyl borate

: 21488-83-5, 53210-27-8, 21488-84-6
(2E)-1-phenyl-3,7-dimethyl-2,6-octadiene

Conditions

Conditions	Yield
With metalloprotein-inspired polymeric imidazole/palladium In water; isopropyl alcohol at 50℃; for 4h;	96%
With poly[(N-vinylimidazole)-co-(N-isopropylacrylamide)]-based palladium catalyst In water; isopropyl alcohol at 50℃; for 4h;	96%
With chloro-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]palladium In methanol at 50℃; for 48h; Inert atmosphere;	64%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 73183-34-3
bis(pinacol)diborane

: 1057662-85-7
(E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel(0); tricyclohexylphosphine In ethyl acetate at 60℃; for 12h; Inert atmosphere; stereoselective reaction;	96%
With bis(1,5-cyclooctadiene)nickel (0); tricyclohexylphosphine In ethyl acetate at 60℃; for 10.5h; Inert atmosphere;	54%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 37905-02-5
(2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dien-1-yl acetate

Conditions

Conditions	Yield
With selenium(IV) oxide In ethanol Reflux; Inert atmosphere; regioselective reaction;	95%
With selenium(IV) oxide In ethanol for 1h; Heating;	82%
Stage #1: 3,7-dimethyl-2E,6-octadien-1-yl acetate With selenium(IV) oxide; salicylic acid In dichloromethane at 0 - 20℃; for 29h; Oxidation; Stage #2: With manganese(IV) oxide In dichloromethane at 0 - 20℃; Oxidation; Further stages.;	73%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 103784-72-1
1,7-dichloro-3,7-dimethyloct-2(E)-ene

Conditions

Conditions	Yield
With acetyl chloride In ethanol at 30℃; for 0.25h; Markovnikov hydrochlorination;	95%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 67-66-3
chloroform

: 1032302-82-1
C14H20Cl4O2

Conditions

Conditions	Yield
With potassium hydroxide; tert-butylammonium hexafluorophosphate(V) In benzene at 15℃; for 6h;	95%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 925-90-6
ethylmagnesium bromide

: 2,6-dimethyl-6-vinyldodec-2-ene

Conditions

Conditions	Yield
Stage #1: ethylmagnesium bromide With copper(II) thiophene-2-carboxylate; 1-(chloro(pyrrolidin-1-yl)methylene)pyrrolidinium tetrafluoroborate In diethyl ether at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: 3,7-dimethyl-2E,6-octadien-1-yl acetate In diethyl ether for 1.25h; Inert atmosphere;	95%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 25370-97-2
O-(p-toluenesulfonyl)-N-methylhydroxylamine

: 1534355-02-6
(E)-3-methyl-5-(1,3,3-trimethylaziridin-2-yl)pent-2-en-1-yl acetate

Conditions

Conditions	Yield
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]} In 2,2,2-trifluoroethanol at 20℃; for 1h; regioselective reaction;	94%

: potassium trans-2-[4-(trifluoromethyl)phenyl]vinyltrifluoroborate

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 1-((1E,4E)-5,9-Dimethyl-deca-1,4,8-trienyl)-4-trifluoromethyl-benzene

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; N-ethyl-N,N-diisopropylamine In water; isopropyl alcohol at 80℃; for 0.166667h; microwave irradiation;	93%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

A: 6-chloro-3,7-dimethyl-octa-2,6-dienyl acetate

B: 74514-19-5
(2E)-6-chloro-3,7-dimethyl-2,7-octadienyl acetate

Conditions

Conditions	Yield
With N-chloro-succinimide; selenenyl bromide In dichloromethane at 20℃;	A n/a B 93%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 50727-95-2
(2R*,3R*)-2,3-epoxy-3,7-dimethyl-6-octenyl acetate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In water; acetonitrile at 70℃; for 24h;	93%

Geranyl acetate Consensus Reports

NTP Carcinogenesis Studies (gavage); No Evidence: mouse, rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-252 ,1987. . Reported in EPA TSCA Inventory.

Geranyl acetate Specification

The IUPAC name of Geranyl acetate is [(2E)-3,7-dimethylocta-2,6-dienyl] acetate. With the CAS registry number 105-87-3, it is also named as 3,7-Dimethyl-2,6-octadien-1-ol acetate. The product's categories are Acyclic Monoterpenes; Biochemistry; Terpenes, and the other registry numbers are 130396-84-8; 8022-83-1. Besides, it is clear colorless liquid with an odor of lavender, which should be sealed in aluminum barrel or glass bottle in cool and dark place at 2-8 °C. It is insoluble in water, and reacts with strong oxidizing agents. It is also probably combustible. In addition, its molecular formula is C₁₂H₂₀O₂ and molecular weight is 196.29.

The other characteristics of this product can be summarized as: (1)EINECS: 203-341-5; (2)ACD/LogP: 4.10; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.1; (5)ACD/LogD (pH 7.4): 4.1; (6)ACD/BCF (pH 5.5): 774.68; (7)ACD/BCF (pH 7.4): 774.68; (8)ACD/KOC (pH 5.5): 4070.39; (9)ACD/KOC (pH 7.4): 4070.39; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 6; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 59.21 cm³; (15)Molar Volume: 216.9 cm³; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 0.904 g/cm³; (18)Flash Point: 98.9 °C; (19)Melting point: <25 °C; (20)Water solubility: <0.1 g/100 mL at 20 °C; (21)Enthalpy of Vaporization: 48.47 kJ/mol; (22)Boiling Point: 247.5 °C at 760 mmHg; (23)Vapour Pressure: 0.0256 mmHg at 25 °C.

Preparation of Geranyl acetate: It can be obtained by fractional distillation of essential oils. Furthermore, this chemical can be prepared by (E)-3,7-Dimethyl-octa-2,6-dien-1-ol and Acetic acid.

This reaction needs Candida antarctica lipase SP382 and Hexane at temperature of 30 °C. The reaction time is 24 hours. The yield is 100 %.

Uses of Geranyl acetate: this chemical is mainly used as a component of perfumes for creams and soaps and as a flavoring ingredient. It is also used particularly in rose, lavender and geranium formulations where a sweet fruity or citrus aroma is desired. Additionally, it can be used to produce (E)-6-Acetoxy-4-methyl-hex-4-enal.

This reaction needs Ozone, Dimethylsulfide and CH₂Cl₂ at temperature of -78 °C for 12 hours. The yield is 50 %.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC/C=C(/CC/C=C(\C)C)C)C
(2)InChI: InChI=1/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
(3)InChIKey: HIGQPQRQIQDZMP-DHZHZOJOBM
(4)Std. InChI: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
(5)Std. InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	8gm/kg (8000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Toxicology Program Technical Report Series. Vol. NTP-TR-252, Pg. 1987,
rat	LD50	oral	6330mg/kg (6330mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Product Name

Geranyl acetate

Synthetic route

Geranyl acetate Consensus Reports

Geranyl acetate Specification

Related Products

Hot Products