Propanoic acid,2,2-dimethyl-, hexyl ester

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Names

[ CAS No. ]:
5434-57-1

[ Name ]:
Propanoic acid,2,2-dimethyl-, hexyl ester

[Synonym ]:
Hexyl neopentanoate
Pivalic acid,hexyl ester
n-Hexylneopentanoat
1-hexyl pivalate
Trimethylessigsaeure-hexylester
EINECS 226-602-5
Hexylneopentanoat
Hexyl 2,2-dimethylpropionate
Propanoic acid,2,2-dimethyl-,hexyl ester
Hexyl pivalate
n-Hexyl pivalate

Chemical & Physical Properties

[ Density]:
0.871g/cm3

[ Boiling Point ]:
203.2ºC at 760mmHg

[ Molecular Formula ]:
C11H22O2

[ Molecular Weight ]:
186.29100

[ Flash Point ]:
76.7ºC

[ Exact Mass ]:
186.16200

[ PSA ]:
26.30000

[ LogP ]:
3.15600

[ Index of Refraction ]:
1.426

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TO7876600
CHEMICAL NAME :
Pivalic acid, hexyl ester
CAS REGISTRY NUMBER :
5434-57-1
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C11-H22-O2
MOLECULAR WEIGHT :
186.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982 ** 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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6878 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

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(2,5-dichlorophenyl)-2,2-bis(methylthio)vinyl pivalate
  • 1-Hexanol
  • Pivaloyl chloride
  • 2,2-Dimethyl-1-(2-Thioxothiazolidin-3-Yl)Propan-1-One
  • carbon monoxide

DownStream

Customs

[ 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%

Related Compounds

  • 6-hydroxyhexyl 2,2-dimethylpropanoate
  • Propanoic acid, 2,2-dimethyl-, phenyl ester
  • Propanoic acid, 2,2-dimethyl-, butyl ester
  • Propanoic acid,2,2-dimethyl-, phenylmethyl ester
  • Propanoic acid,2,2-dimethyl-, 4-acetylphenyl ester
  • Propanoic acid, 2,2-dimethyl-, 4-hydroxyphenyl ester
  • Ethyl 4-(2-((3-chlorophenyl)amino)-2-oxoethoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((3-chlorophenyl)amino)-2-oxoethoxy)-6-oxo-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((3-chlorophenyl)amino)-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((4-chlorophenyl)amino)-2-oxoethoxy)-6-oxo-1-(o-tolyl)-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((4-chlorophenyl)amino)-2-oxoethoxy)-6-oxo-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 1-(2-chlorophenyl)-4-(2-((4-chlorophenyl)amino)-2-oxoethoxy)-6-oxo-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((4-chlorophenyl)amino)-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((3,4-dichlorophenyl)amino)-2-oxoethoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((3,4-dichlorophenyl)amino)-2-oxoethoxy)-6-oxo-1-(o-tolyl)-1,6-dihydropyridazine-3-carboxylate
  • Ethyl 4-(2-((3,4-dichlorophenyl)amino)-2-oxoethoxy)-6-oxo-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate
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