Ethyl-(E)hex-2-enoat

Ethyl trans-2-hexenoate

HCID 5364778CAS 1552-67-6
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCC/C=C/C(=O)OCC
InChIKey
SJRXWMQZUAOMRJ-VOTSOKGWSA-N
Summenformel
C8H14O2
Durchschnittliche Molmasse
142,2 g/mol
Monoisotopische Masse
142,09937969

Namen und Bezeichner

Bevorzugter Name
Ethyl trans-2-hexenoate
IUPAC
ethyl (E)-hex-2-enoate
Lokaler Name
Ethyl-(E)hex-2-enoat
Englischer Name
Ethyl (E)-hex-2-enoate
Summenformel
C8H14O2
Molmasse
142.2

Namen und Synonyme

27829-72-7Ethyl trans-2-hexenoateEthyl 2-hexenoateethyl (E)-hex-2-enoate2-Hexenoic acid, ethyl ester, (2E)-Ethyl (E)-2-hexenoate2-Hexenoic acid, ethyl esterEthyl 2E-hexenoateEthyl E-hex-2-enoate(2E)-2-Hexenoic Acid Ethyl Ester1552-67-6ethyl (2E)-hex-2-enoate
Weitere Namen anzeigen
FEMA 3675ETHYL T2 HEXENOATERARECHEM AL BI 0150Ethyl trans-2-hexen(E)-ETHYL 2-HEXENOATEEthyl (2E)-2-hexenoate
FEMA No. 3675MFCD000365412-Hexenoic acid, ethyl ester, (E)-OL4EUZ6C13Ethyl ester of 2-hexenoic acidtrans-2-Hexenoic Acid Ethyl EsterEthyl (E)hex-2-enoateUNII-OL4EUZ6C13

Datenbank-Bezeichner

CAS
1552-67-6、27829-72-7
PubChem CID
5364778
DTXSID
DTXSID30885403
ChEBI
CHEBI:87514
UNII
OL4EUZ6C13
EC Number
248-681-5
Nikkaji
J110.615E、J250.597E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Density · 2 Einträge

0.895-0.905 (20º)

0.895-0.905

Solubility · 4 Einträge

Practically insoluble to insoluble in water

Soluble (in ethanol)

Slightly soluble in water; soluble in fats

Soluble (in ethanol)

Boiling Point · 3 Einträge

167.00 to 174.00 °C. @ 760.00 mm Hg

167-174º

110-111 °C (10 mm Hg)

Refractive Index · 2 Einträge

1.430-1.440

1.429-1.434

Physical Description · 2 Einträge

Clear colourless liquid; fruity aroma

Colourless liquid; Fruity, green, pulpy, pineapple, apple aroma

Kovats Retention Index · 3 Einträge

1020；1018；1023；1020；1024；1025；1026；1019；1024

1036；1038；1036；1049；1030；1043；1030；1046；1049；1052；1040

1343；1329；1336；1305；1328；1357；1360；1360；1336；1354.6；1334；1338；1329；1335；1336；1367；1345；1328

Physikochemische Eigenschaften

Schmelzpunkt
2 °C · −2 °C(lit.)
Siedepunkt
123 · 123-126 °C12 mm Hg(lit.)
Dichte
0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
FEMA
3675 · 3675 | ETHYL TRANS-2-HEXENOATE
Brechungsindex
20 · n20/D 1.46(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 79.4% (139 of 175) of all reports.

Warning

H226 (20.6%): 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 175 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 139 of 175 reports by companies.；There are 3 notifications provided by 36 of 175 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2-Hexenoic acid, ethyl ester

Chemical: 2-Hexenoic acid, ethyl ester, (E)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Hexenoic acid, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (20.6%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: 2-Hexenoic acid, ethyl ester

Chemical: 2-Hexenoic acid, ethyl ester, (E)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Hexenoic acid, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29171900
RTECS-Nr.
MP7750000
risk_code
34-10

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular；Membrane

Verwendung und Herstellung

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Hexenoic acid, ethyl ester, (2E)-: ACTIVE

Anwendungen

OccurrenceReported found in apple brandy, cognac, grape brandy, concord grapes, wild grapes, passion fruit, quince, strawberry, guava, pineapple, pawpaw and wood apple.

Verwenden(2E)-2-Hexenoic Acid Ethyl Ester is an odor active compound found in fruits such as papaya fruit cv. Red Maradol and guava (Psidium guajava L. cv. Red Suprema).

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Zugehörige Reaktionen

6
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…