Grundinformationen
- CAS
2396-83-0- Standard-SMILES
CC/C=C/CC(=O)OCC- InChIKey
VTSFIPHRNAESED-AATRIKPKSA-N- Summenformel
- C8H14O2
- Durchschnittliche Molmasse
- 142,2 g/mol
- Monoisotopische Masse
- 142,09937969
Überblick
Ethyl 3-hexenoate is a fatty acid ethyl ester of 3-hexenoic acid. It has a role as a metabolite. It is functionally related to a 3-hexenoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 3-hexenoate
- IUPAC
- ethyl (E)-hex-3-enoate
- Lokaler Name
- Ethyl-(E)hex-3-enoat
- Englischer Name
- ETHYL 3-HEXENOATE
- Summenformel
- C8H14O2
- Molmasse
- 142.2
Namen und Synonyme
Ethyl hex-3-enoateETHYL 3-HEXENOATE2396-83-026553-46-8ethyl (E)-hex-3-enoateEthyl trans-3-hexenoate3-Hexenoic acid, ethyl esterEthyl hydrosorbate3-Hexenoic acid, ethyl ester, (3E)-Ethyl (E)-3-hexenoate3-Hexenoic acid, ethyl ester, (E)-FEMA No. 3342
Weitere Namen anzeigen
FEMA 3342ETHYL CIS-3-HEXENOATEETHYL T3 HEXENOATEEthyl trans-hex-3-enoate(E)-3-hexyleneacidethyl ester(E)-3-Hexenoic acid ethyl ester
Ethyl (E)hex-3-enoateEthyl 3-hexenoate (natural)EINECS 219-257-7EINECS 247-798-9U53D99S694CHEBI:87560DTXSID70885361ETHYL 3-HEXENOATE [FHFI]
Datenbank-Bezeichner
- CAS
2396-83-0、26553-46-8- PubChem CID
- 5362622
- DTXSID
DTXSID70885361- ChEBI
CHEBI:87560
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Fragrances
Fragrance Ingredient (Ethyl (E)hex-3-enoate) -> IFRA transparency List
Fragrance Ingredient (Ethyl 3-hexenoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.897-0.901 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point63-64 °C (12 mm Hg)
Refractive Index1.424-1.428
Physical Descriptioncolourless liquid
Physikochemische Eigenschaften
- Siedepunkt
- 63 · 63-64 °C12 mm Hg(lit.)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 9.7% (138 of 1425) of reports.
Warning
H226 (90.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1425 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 3-Hexenoic acid, ethyl ester
Chemical: 3-Hexenoic acid, ethyl ester, (E)-
Regulation (EC) No 1831/2003 (amended)
3-Hexenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
3-Hexenoic acid, ethyl ester, (3E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (90.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
3-Hexenoic acid, ethyl ester: ACTIVE
3-Hexenoic acid, ethyl ester, (3E)-: ACTIVE
Anbieter11 Anbieter
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
BOC Sciences[email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.
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