CAS 105-87-3|acetic acid geranyl ester
Introduction：Basic information about CAS 105-87-3|acetic acid geranyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | acetic acid geranyl ester | ||
|---|---|---|---|
| CAS Number | 105-87-3 | Molecular Weight | 196.286 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 247.5±0.0 °C at 760 mmHg |
| Molecular Formula | C12H20O2 | Melting Point | < 25ºC |
| MSDS | ChineseUSA | Flash Point | 98.9±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | geranyl acetate |
|---|---|
| Synonym | More Synonyms |
acetic acid geranyl ester BiologicalActivity
| Description | Geranyl acetate, an acyclic monoterpene ester derived from geraniol, is widely used in the cosmetics industry due to its pleasant scent[1]. Geranyl acetate can induces cell apoptosis[2]. |
|---|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer |
| In Vitro | Geranyl acetate exhibits significant anti-cancer activity against colo-205 cancer cell line with IC50 value of 30 μM[2]. Geranyl acetate induces apoptosis in colo-205 cells, this apoptosis is associated with upregulation of Bax and downregulation of Bcl-2 expressions[2]. |
| References | [1]. Wu T, et al. Engineering Saccharomyces cerevisiae for the production of the valuable monoterpene ester geranyl acetate. Microb Cell Fact. 2018 Jun 5;17(1):85. [2]. Qi F, et al. Geraniol and geranyl acetate induce potent anticancer effects in colon cancer Colo-205 cells by inducing apoptosis, DNA damage and cell cycle arrest. J BUON. 2018 Mar-Apr;23(2):346-352. |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 247.5±0.0 °C at 760 mmHg |
| Melting Point | < 25ºC |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.286 |
| Flash Point | 98.9±0.0 °C |
| Exact Mass | 196.146332 |
| PSA | 26.30000 |
| LogP | 4.10 |
| Vapour density | 6.8 (vs air) |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.458 |
| InChIKey | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| SMILES | CC(=O)OCC=C(C)CCC=C(C)C |
| Storage condition | 2-8°C |
| Water Solubility | <0.1 g/100 mL at 20 ºC |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human - man
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6330 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - coma
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 260 gm/kg/13W-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 28 gm/kg/14D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 130 gm/kg/13W-I
- TOXIC EFFECTS :
- Liver - other changes Related to Chronic Data - death
- TYPE OF TEST :
- Unscheduled DNA synthesis
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 70 mg/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83198 No. of Facilities: 53 (estimated) No. of Industries: 3 No. of Occupations: 35 No. of Employees: 7388 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83198 No. of Facilities: 3954 (estimated) No. of Industries: 19 No. of Occupations: 25 No. of Employees: 48026 (estimated) No. of Female Employees: 33271 (estimated)
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 70 mg/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83198 No. of Facilities: 53 (estimated) No. of Industries: 3 No. of Occupations: 35 No. of Employees: 7388 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83198 No. of Facilities: 3954 (estimated) No. of Industries: 19 No. of Occupations: 25 No. of Employees: 48026 (estimated) No. of Female Employees: 33271 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | RG5920000 |
Articles11
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| Bio-degradation of acetates of geraniol, nerol & citronellol by P. incognita: isolation & identification of metabolites. Indian J. Biochem. Biophys. 20(3) , 136-40, (1983) | |
| Mosquito odorant receptor for DEET and methyl jasmonate. Proc. Natl. Acad. Sci. U. S. A. 111(46) , 16592-7, (2014) Insect repellents are important prophylactic tools for travelers and populations living in endemic areas of malaria, dengue, encephalitis, and other vector-borne diseases. DEET (N,N-diethyl-3-methylbe... |
Synonyms
| Geranylacetat |
| Geranyl acetate |
| (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate |
| 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)- |
| geranylacetate |
| Geranyl ethanonte |
| trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate |
| Acetic acid, geranyl ester |
| MFCD00015037 |
| trans-3,7-Dimethyl-2,6-octadien-1-ol acetate |
| FEMA 2509 |
| EINECS 203-341-5 |
| (2E)-3,7-Dimethyl-2,6-octadien-1-yl acetate |
| (2E)-3,7-Dimethylocta-2,6-dienyl acetate |
| trans-3,7-Dimethyl-2,6-octadienyl acetate |
| GERANIOL ACETATE |
| acetic acid geranyl ester |
| Beta-Geranyl Acetate |
| (2E)-3,7-Dimethylocta-2,6-dien-1-yl acetate |
| (E)-3,7-Dimethyl-2,6-octadien-1-ol acetate |
| 2,6-dimethyl-2,6-octadien-8-yl acetate |
| 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans- |
| 3,7-dimethyl-2,6-octadienyl acetate |
| geranil acetate |
| femanumber2509. |
| geraniol acetate, trans- |
| Geranyl ethanoate |
| Acetic acid, geraniol ester |
| trans-3,7-dimethyl-2,6-octadien-1-yl acetate |
| 1Y1&U3Y1&U2OV1 &&E Form |
| Meraneine |
| 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- |
