HCID5364778

Ethyl trans-2-hexenoate

ethyl (E)-hex-2-enoate

C8H14O2142.2 g/molCAS 1552-67-6

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IDENTITY

结构与身份

标准SMILES: CCC/C=C/C(=O)OCC
InChIKey: SJRXWMQZUAOMRJ-VOTSOKGWSA-N
分子式: C8H14O2
平均分子量: 142.2 g/mol
单同位素质量: 142.09937969

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 5
重原子: 10
形式电荷: 0
复杂度: 116

PROPERTIES

实验与物化性质

来源：PubChem

Density

0.895-0.905 (20º)

0.895-0.905

Solubility

Practically insoluble to insoluble in water

Soluble (in ethanol)

Slightly soluble in water; soluble in fats

Soluble (in ethanol)

Boiling Point

167.00 to 174.00 °C. @ 760.00 mm Hg

167-174º

110-111 °C (10 mm Hg)

Refractive Index

1.430-1.440

1.429-1.434

Physical Description

Clear colourless liquid; fruity aroma

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

Kovats Retention Index

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

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 Categories

Flam. Liq. 3 (20.6%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

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

PHARMACOLOGY

药理信息

来源：PubChem

Cellular Locations

Extracellular；Membrane

USES

用途与制造

来源：PubChem

Use Classification

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information

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

ALIASES

名称与别名

共 48 条

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-enoateFEMA No. 3675MFCD000365412-Hexenoic acid, ethyl ester, (E)-OL4EUZ6C13Ethyl ester of 2-hexenoic acidtrans-2-Hexenoic Acid Ethyl EsterEthyl (E)hex-2-enoateUNII-OL4EUZ6C13

REACTIONS

参与反应

6 条