Linalyl Isobutyrate

Modify Date: 2024-01-02 12:12:49

Linalyl Isobutyrate Structure
Linalyl Isobutyrate structure
Common Name Linalyl Isobutyrate
CAS Number 78-35-3 Molecular Weight 224.33900
Density 0.89g/cm3 Boiling Point 261.3ºC at 760 mmHg
Molecular Formula C14H24O2 Melting Point < -20 °C
MSDS N/A Flash Point 73.3ºC

 Names

Name Linalyl Isobutyrate
Synonym More Synonyms

 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

~78%

Linalyl Isobutyrate Structure

Linalyl Isobutyrate

CAS#:78-35-3

Literature: Yuasa, Yoshifumi; Kato, Yasushi Journal of Agricultural and Food Chemistry, 2003 , vol. 51, # 14 p. 4036 - 4039

~%

Linalyl Isobutyrate Structure

Linalyl Isobutyrate

CAS#:78-35-3

Literature: US2797235 , ; Ind.chim.belge Sonderband 31.Congr.int.Chim.ind.Luettich 1958,Bd.2.S.644,647

~%

Linalyl Isobutyrate Structure

Linalyl Isobutyrate

CAS#:78-35-3

Literature: US2797235 , ;

 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%

 Synonyms

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