Grundinformationen
- CAS
10094-40-3- Standard-SMILES
CCC/C=C/COC(C)=O- InChIKey
HRHOWZHRCRZVCU-AATRIKPKSA-N- Summenformel
- C8H14O2
- Durchschnittliche Molmasse
- 142,2 g/mol
- Monoisotopische Masse
- 142,09937969
Überblick
(E)-hex-2-enyl acetate is an acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid. It has a role as a flavouring agent and a plant metabolite. It is an acetate ester and an olefinic compound. It is functionally related to an (E)-hex-2-en-1-ol.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hexenyl acetate, (2E)-
- IUPAC
- [(E)-hex-2-enyl] acetate
- Lokaler Name
- Hex-2-enylacetat
- Englischer Name
- hex-2-enyl acetate
- Summenformel
- C8H14O2
- Molmasse
- 142.2
Namen und Synonyme
trans-2-Hexenyl acetate2497-18-9[(E)-hex-2-enyl] acetatetrans-Hex-2-enyl acetate(E)-2-HEXENYL ACETATE2-Hexen-1-ol, acetate2-Hexen-1-yl-acetatetrans-2-hexen-1-yl acetate2-Hexen-1-ol, 1-acetate, (2E)-2-Hexenyl acetate, (2E)-2-Hexen-1-ol, acetate, (E)-(e)-2-hexen-1-yl acetate
Weitere Namen anzeigen
hex-2-hex-2-enyl2-Hexene-1-ol acetate2-Hexen-1-ol, 1-acetateAcetic acid 2-hexenyl esterHex-2-enylacetate(isomerunspecified)
FEMA No. 2564(2E)-hex-2-en-1-yl acetate(E)-Hex-2-enyl acetate2-Hexenyl acetate, trans-BRN 1721851XDV436N45E2-Hexen-1-yl acetate, trans-EINECS 219-680-7
Datenbank-Bezeichner
- CAS
10094-40-3、2497-18-9- PubChem CID
- 2733294
- DTXSID
DTXSID40879237
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- 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
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (trans-2-Hexenyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.890-0.897
Flavoring AgentsEU Flavoring substances
Solubility
Very slightly soluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point
165.00 to 166.00 °C. @ 760.00 mm Hg
165-166 °C
Refractive Index1.424-1.430
Physical Description
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 8% (127 of 1578) of reports.
Warning
H226 (91.9%): 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 1578 reports by companies from 10 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Hexen-1-ol, acetate, (E)-
Chemical: 2-Hexen-1-ol, acetate
Regulation (EC) No 1831/2003 (amended)
2-Hexen-1-ol, 1-acetate, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Hexen-1-ol, 1-acetate, (2E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Hexen-1-ol, acetate, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (91.9%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
U.S. Production2023: 6,548 lb
Consumer UsesFragrance
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Hexen-1-ol, 1-acetate, (2E)-: ACTIVE
Anbieter8 Anbieter
吉林省创力生物科技有限公司19396231124 19396231124 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
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