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103-93-5

103-93-5 structure
103-93-5 structure

Name (4-methylphenyl) 2-methylpropanoate
Synonyms P-TOLYL ISOBUTYRATE
FEMA No. 3075
p-Methylphenyl isobutyrate
Cresyl isobutyrate,p
para-cresyl isobutyrate
Isobuttersaeure-p-tolylester
isobutyric acid 4-tolyl ester
EINECS 203-159-6
MFCD00026440
Tolyl 2-methylpropanoate,p
2-Methyl-propionsaeure-p-kresylester
ISOBUTYRIC ACID,p-TOLYL ESTER
para-tolyl isobutyrate
p-Cresyl isobutyrate
Propanoic acid,2-methyl-,4-methylphenyl ester
Density 1.008g/cm3
Boiling Point 243.9ºC at 760mmHg
Molecular Formula C11H14O2
Molecular Weight 178.22800
Flash Point 93.8ºC
Exact Mass 178.09900
PSA 26.30000
LogP 2.55640
Vapour Pressure 0.0312mmHg at 25°C
Index of Refraction n20/D 1.487(lit.)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ5460000
CHEMICAL NAME :
Isobutyric acid, p-tolyl ester
CAS REGISTRY NUMBER :
103-93-5
BEILSTEIN REFERENCE NO. :
2519560
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
1Y1&VOR D1

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 :
4 mL/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: 13,773,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3970 uL/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: 13,773,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8310 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)
WGK Germany 2
RTECS NQ5460000
HS Code 2915900090

~90%

103-93-5 structure

103-93-5

Literature: Vuluga, Daniela; Legros, Julien; Crousse, Benoit; Bonnet-Delpon, Daniele Chemistry - A European Journal, 2010 , vol. 16, # 6 p. 1776 - 1779

~15%

103-93-5 structure

103-93-5

Literature: Suresh Babu; Karanth; Divakar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 5 p. 1068 - 1071
HS Code 2915900090
Summary 2915900090 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%