Products Categories
| CAS No.: | 105-87-3 |
|---|---|
| Name: | Geranyl acetate |
| Molecular Structure: | |
|
|
|
| Formula: | C12H20O2 |
| Molecular Weight: | 196.29 |
| 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; |
| EINECS: | 203-341-5 |
| Density: | 0.904 g/cm3 |
| Melting Point: | < 25 °C |
| Boiling Point: | 247.5 °C at 760 mmHg |
| Flash Point: | 98.9 °C |
| Solubility: | < 0.1 g/100 mL at 20 °C in water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 26.30000 |
| LogP: | 3.24220 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
| 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% |
| 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% |
| 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% |
| 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% |
| 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 |
| 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% |
| 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 | Yield |
|---|---|
| With Tri-n-octylamine; dmap at 125℃; for 1h; Heating / reflux; | 92% |
| Conditions | Yield |
|---|---|
| With aluminum oxide at 25 - 30℃; for 1h; | 91% |
- 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate
| Conditions | Yield |
|---|---|
| In acetic anhydride for 6h; Heating; | 90% |
What can I do for you?
Get Best Price
Consensus Reports
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.
.jpg)
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.
.jpg)
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. |