CAS 117-98-6|vetiveryl acetate

Introduction:Basic information about CAS 117-98-6|vetiveryl acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namevetiveryl acetate
CAS Number117-98-6Molecular Weight262.38700
Density0.99g/cm3Boiling Point335.3ºC at 760mmHg
Molecular FormulaC17H26O2Melting Point/
MSDS/Flash Point149.9ºC

Names

Name1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate
SynonymMore Synonyms

Chemical & Physical Properties

Density0.99g/cm3
Boiling Point335.3ºC at 760mmHg
Molecular FormulaC17H26O2
Molecular Weight262.38700
Flash Point149.9ºC
Exact Mass262.19300
PSA26.30000
LogP4.26680
Vapour Pressure0.00012mmHg at 25°C
Index of Refraction1.501
InChIKeyUAVFEMBKDRODDE-UHFFFAOYSA-N
SMILESCC(=O)OC1C=C(C)C2CC(=C(C)C)CC2C(C)C1

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 DATA

ACUTE 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)

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
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