CAS 103-38-8|Butanoic acid,3-methyl-, phenylmethyl ester

Introduction:Basic information about CAS 103-38-8|Butanoic acid,3-methyl-, phenylmethyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameButanoic acid,3-methyl-, phenylmethyl ester
CAS Number103-38-8Molecular Weight192.25400
Density0.988 g/mL at 25 °C(lit.)Boiling Point116 °C9 mm Hg(lit.)
Molecular FormulaC12H16O2Melting Point/
MSDSChineseUSAFlash Point>230 °F

Names

NameBenzyl Isovalerate
SynonymMore Synonyms

Chemical & Physical Properties

Density0.988 g/mL at 25 °C(lit.)
Boiling Point116 °C9 mm Hg(lit.)
Molecular FormulaC12H16O2
Molecular Weight192.25400
Flash Point>230 °F
Exact Mass192.11500
PSA26.30000
LogP2.77590
Vapour Pressure0.0294mmHg at 25°C
Index of Refractionn20/D 1.488(lit.)
InChIKeyHVJKZICIMIWFCP-UHFFFAOYSA-N
SMILESCC(C)CC(=O)OCc1ccccc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1415000
CHEMICAL NAME :
Isovaleric acid, benzyl ester
CAS REGISTRY NUMBER :
103-38-8
BEILSTEIN REFERENCE NO. :
2503435
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H16-O2
MOLECULAR WEIGHT :
192.28
WISWESSER LINE NOTATION :
1Y1&1VO1R

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: 12,829,1974 ** 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: 12,829,1974
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: 12,829,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5074 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

Safety Information

Personal Protective EquipmentEyeshields;Gloves
Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany2
RTECSNY1415000
HS Code2915900090

Customs

HS Code2915900090
Summary2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Synonyms

benzyl 3-methylbutanoate
BENZYL ISOVALERATE
EINECS 203-106-7
MFCD00048348
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