Linalyl Isobutyrate
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Names
[ CAS No. ]:
78-35-3
[ Name ]:
Linalyl Isobutyrate
[Synonym ]:
3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate
Chemical & Physical Properties
[ Density]:
0.89g/cm3
[ Boiling Point ]:
261.3ºC at 760 mmHg
[ Melting Point ]:
< -20 °C
[ Molecular Formula ]:
C14H24O2
[ Molecular Weight ]:
224.33900
[ Flash Point ]:
73.3ºC
[ Exact Mass ]:
224.17800
[ PSA ]:
26.30000
[ LogP ]:
3.87670
[ Index of Refraction ]:
1.453
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 Codes ]:
Xi
[ Safety Phrases ]:
S26-S37/39
[ HS Code ]:
2915600000
Synthetic Route
Customs
[ HS Code ]: 2915600000
[ Summary ]:
2915600000 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%