Hexanoic acid,2-ethyl-, ethenyl ester

Modify Date: 2024-01-07 15:31:36

Hexanoic acid,2-ethyl-, ethenyl ester Structure
Hexanoic acid,2-ethyl-, ethenyl ester structure
Common Name Hexanoic acid,2-ethyl-, ethenyl ester
CAS Number 94-04-2 Molecular Weight 170.24900
Density 0.87 g/cm3 Boiling Point 86ºC 30mm
Molecular Formula C10H18O2 Melting Point -90ºC(lit.)
MSDS N/A Flash Point 65ºC

 Names

Name 2-Ethylhexanoic Acid Vinyl Ester
Synonym More Synonyms

 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.

 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

~41%

Hexanoic acid,2-ethyl-, ethenyl ester Structure

Hexanoic acid,2...

CAS#:94-04-2

Literature: CELANESE INTERNATIONAL CORPORATION; KIMMICH, Barbara, F. M.; TOOMEY, Hannah, E.; YAO, Qiang; TORRENCE, G., Paull; VAN DER WAAL, Jan, Cornelius; SILBEROVA, Bozena, Aeijelts, Averink Patent: WO2010/129029 A2, 2010 ; Location in patent: Page/Page column 47-48 ;

~93%

Hexanoic acid,2-ethyl-, ethenyl ester Structure

Hexanoic acid,2...

CAS#:94-04-2

Literature: Nakagawa, Hideto; Okimoto, Yoshio; Sakaguchi, Satoshi; Ishii, Yasutaka Tetrahedron Letters, 2003 , vol. 44, # 1 p. 103 - 106

 Precursor & DownStream

Precursor  3

DownStream  0

 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%

 Synonyms

EINECS 202-297-4
ethenyl 2-ethylhexanoate