Introduction:Basic information about CAS 117-98-6|vetiveryl acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | vetiveryl acetate |
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| CAS Number | 117-98-6 | Molecular Weight | 262.38700 |
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| Density | 0.99g/cm3 | Boiling Point | 335.3ºC at 760mmHg |
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| Molecular Formula | C17H26O2 | Melting Point | / |
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| MSDS | / | Flash Point | 149.9ºC |
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Names
| Name | 1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.99g/cm3 |
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| Boiling Point | 335.3ºC at 760mmHg |
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| Molecular Formula | C17H26O2 |
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| Molecular Weight | 262.38700 |
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| Flash Point | 149.9ºC |
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| Exact Mass | 262.19300 |
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| PSA | 26.30000 |
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| LogP | 4.26680 |
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| Vapour Pressure | 0.00012mmHg at 25°C |
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| Index of Refraction | 1.501 |
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| InChIKey | UAVFEMBKDRODDE-UHFFFAOYSA-N |
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| SMILES | CC(=O)OC1C=C(C)C2CC(=C(C)C)CC2C(C)C1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CO4870000
- CHEMICAL NAME :
- 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dime thyl-, acetate
- CAS REGISTRY NUMBER :
- 117-98-6
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C17-H26-O2
- MOLECULAR WEIGHT :
- 262.43
- WISWESSER LINE NOTATION :
- L57 CY FUTJ CUY F1 HOV1 K1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,1011,1974 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,1011,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,1011,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83545 No. of Facilities: 39 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 261 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83545 No. of Facilities: 323 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 1811 (estimated) No. of Female Employees: 1811 (estimated)
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Synonyms
| 1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene |
| Einecs 204-225-7 |
| 6-Azulenol,1,2,3,3A,4,5,6,8A-octahydro-2-isopropylidene-4,8-dimethyl-,acetate |
| 1,2,3,3a,4,5,6,8a-Octahydro-2-isopropyliden-4,8-dimethylazulen-6-ylacetat |