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%


Related Compounds

  • Linalyl isobutyrate
  • LINALYL ISOVALERATE
  • linalyl hexanoate
  • linalyl pyrophosphate
  • linalyl valerate
  • linalyl formate
  • 5-(but-3-yn-1-yl)-1-methyl-1H-indole
  • 4-(4-Chlorophenyl)-4-ethylpiperidine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 5H-Pyrazolo[5,1-c]-1,2,4-triazole-5,6-diamine,N5-methyl-
  • tert-Butyl 4-((2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamido)methyl)piperidine-1-carboxylate
  • N,2-Dimethyl-5-(1H-pyrazol-1-ylmethyl)-3-furanmethanamine
  • (2'-Oxo-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridin]-6'-yl)boronic acid
  • N,I+/--Dimethyl-2-(1-methyl-1H-pyrazol-4-yl)benzenemethanamine
  • 3-(2-Methoxy-5-methylphenyl)propan-1-amine
  • 2,2,2-trichloroethyl 3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-ylcarbamate