(E)-2-hexen-1-yl propionate

Modify Date: 2025-08-25 15:29:41

(E)-2-hexen-1-yl propionate Structure
(E)-2-hexen-1-yl propionate structure
Common Name (E)-2-hexen-1-yl propionate
CAS Number 53398-80-4 Molecular Weight 156.22200
Density 0.896g/cm3 Boiling Point 195.9ºC at 760mmHg
Molecular Formula C9H16O2 Melting Point N/A
MSDS USA Flash Point 73.6ºC

 Names

Name (2E)-hex-2-en-1-yl propanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.896g/cm3
Boiling Point 195.9ºC at 760mmHg
Molecular Formula C9H16O2
Molecular Weight 156.22200
Flash Point 73.6ºC
Exact Mass 156.11500
PSA 26.30000
LogP 2.29590
Index of Refraction 1.436
InChIKey LPWKTEHEFDVAQS-VOTSOKGWSA-N
SMILES CCCC=CCOC(=O)CC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP8645000
CHEMICAL NAME :
2-Hexen-1-ol, propanoate, (E)-
CAS REGISTRY NUMBER :
53398-80-4
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H16-O2
MOLECULAR WEIGHT :
156.25
WISWESSER LINE NOTATION :
4U2OV2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,807,1979 ** 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 :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,807,1979
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 :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,807,1979

 Safety Information

HS Code 2915509000

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2915509000
Summary 2915509000 propionic acid, its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

 Synonyms

trans-2-Hexen-1-yl Propionate
propionic acid trans-2-hexen-1-yl ester
hex-2-enyl propanoate
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