Hexanoic acid,2-ethyl-, ethenyl ester

Names

[ CAS No. ]:
94-04-2

[ Name ]:
Hexanoic acid,2-ethyl-, ethenyl ester

[Synonym ]:
EINECS 202-297-4
ethenyl 2-ethylhexanoate

Chemical & Physical Properties

[ Density]:
0.87 g/cm3

[ Boiling Point ]:
86ºC 30mm

[ Melting Point ]:
-90ºC(lit.)

[ Molecular Formula ]:
C₁₀H₁₈O₂

[ Molecular Weight ]:
170.24900

[ Flash Point ]:
65ºC

[ Exact Mass ]:
170.13100

[ PSA ]:
26.30000

[ LogP ]:
2.88950

[ Index of Refraction ]:
n20/D 1.426(lit.)

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MO7875000

CHEMICAL NAME :: Hexanoic acid, 2-ethyl-, vinyl ester

CAS REGISTRY NUMBER :: 94-04-2

BEILSTEIN REFERENCE NO. :: 1767220

LAST UPDATED :: 199806

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C10-H18-O2

MOLECULAR WEIGHT :: 170.28

WISWESSER LINE NOTATION :: 4Y2&VO1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4290 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 10 mL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 1 mmol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 279,75,1992

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
26-36/37/39-36-61-60-36/37

[ RIDADR ]:
UN 3082

[ RTECS ]:
MO7875000

[ Packaging Group ]:
III

[ Hazard Class ]:
9

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Ethylcaproic acid
Acetylene
vinyl acetate

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

Hexanoic acid,2-ethyl-, tributylstannyl ester
Hexanoic acid,2-ethyl-, eicosyl ester
Hexanoic acid,2-ethyl-, tributylplumbyl ester
Hexanoic acid, 2-ethyl-, hexyl ester
Hexanoic acid, 2-benzoyl-, ethyl ester
isopropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (en)Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, 1-methylethyl ester (en)
3-{N-tert-butyl-3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]propanamido}propanoic acid
2-{N-cyclopentyl-3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]propanamido}acetic acid
1-[2-ethyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-3-methylpiperidine-4-carboxylic acid
1-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanoyl]-3-methylpiperidine-4-carboxylic acid
1-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-1,2,4-triazole-3-carbonyl]-3-methylpiperidine-4-carboxylic acid
4-({5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxolan-2-yl}formamido)-2,2-dimethylbutanoic acid
tert-butyl N-({6-oxa-2-azaspiro[3.4]octan-7-yl}methyl)carbamate
5-(6-Methoxypyridin-3-yl)-1,2-oxazol-3-amine
2-bromo-4-(2,3-dihydro-1H-perimidin-2-yl)phenol
Ethyl 6-bromo-1,4-dihydro-4-oxopyrrolo[2,1-f][1,2,4]triazine-2-carboxylate

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