CAS 94-04-2|Hexanoic acid,2-ethyl-, ethenyl ester

Introduction:Basic information about CAS 94-04-2|Hexanoic acid,2-ethyl-, ethenyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHexanoic acid,2-ethyl-, ethenyl ester
CAS Number94-04-2Molecular Weight170.24900
Density0.87 g/cm3Boiling Point86ºC 30mm
Molecular FormulaC10H18O2Melting Point-90ºC(lit.)
MSDS/Flash Point65ºC

Names

Name2-Ethylhexanoic Acid Vinyl Ester
SynonymMore Synonyms

Chemical & Physical Properties

Density0.87 g/cm3
Boiling Point86ºC 30mm
Melting Point-90ºC(lit.)
Molecular FormulaC10H18O2
Molecular Weight170.24900
Flash Point65ºC
Exact Mass170.13100
PSA26.30000
LogP2.88950
Index of Refractionn20/D 1.426(lit.)
InChIKeyIGBZOHMCHDADGY-UHFFFAOYSA-N
SMILESC=COC(=O)C(CC)CCCC
StabilityStable. Incompatible with strong oxidizing agents, strong acids, strong bases.

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 CodesXi
Risk Phrases36/37/38
Safety Phrases26-36/37/39-36-61-60-36/37
RIDADRUN 3082
RTECSMO7875000
Packaging GroupIII
Hazard Class9
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

EINECS 202-297-4
ethenyl 2-ethylhexanoate
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