CAS 78-35-3|Linalyl Isobutyrate

Introduction:Basic information about CAS 78-35-3|Linalyl Isobutyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameLinalyl Isobutyrate
CAS Number78-35-3Molecular Weight224.33900
Density0.89g/cm3Boiling Point261.3ºC at 760 mmHg
Molecular FormulaC14H24O2Melting Point< -20 °C
MSDS/Flash Point73.3ºC

Names

NameLinalyl Isobutyrate
SynonymMore Synonyms

Chemical & Physical Properties

Density0.89g/cm3
Boiling Point261.3ºC at 760 mmHg
Melting Point< -20 °C
Molecular FormulaC14H24O2
Molecular Weight224.33900
Flash Point73.3ºC
Exact Mass224.17800
PSA26.30000
LogP3.87670
Index of Refraction1.453
InChIKeyJZIARAQCPRDGAC-UHFFFAOYSA-N
SMILESC=CC(C)(CCC=C(C)C)OC(=O)C(C)C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ4610000
CHEMICAL NAME :
Isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
CAS REGISTRY NUMBER :
78-35-3
BEILSTEIN REFERENCE NO. :
1726378
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C14-H24-O2
MOLECULAR WEIGHT :
224.38
WISWESSER LINE NOTATION :
1Y1&VOX1&1U1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>36300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15100 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Skin and Appendages - hair
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
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: 13,835,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6903 No. of Facilities: 1102 (estimated) No. of Industries: 5 No. of Occupations: 9 No. of Employees: 11615 (estimated) No. of Female Employees: 8723 (estimated)

Safety Information

Hazard CodesXi
Safety PhrasesS26-S37/39
HS Code2915600000

Customs

HS Code2915600000
Summary2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Synonyms

3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate
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