CAS 1552-67-6 Ethyl trans-2-hexenoate (HCID 5364778)

名称と識別子

優先名称: Ethyl trans-2-hexenoate
IUPAC: ethyl (E)-hex-2-enoate
現地名: (2E)-2-ヘキセン酸エチル
英語名: Ethyl (E)-hex-2-enoate
分子式: C8H14O2
分子量: 142.2

名称と別名

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

名称をさらに表示

(E)-2-ヘキセン酸エチル(2E)-2-ヘキセン酸エチルエチル trans-2-ヘキセノエ-トtrans-2-ヘキセン酸エチル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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 10
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Density · 2 件

0.895-0.905 (20º)

0.895-0.905

Solubility · 4 件

Practically insoluble to insoluble in water

Soluble (in ethanol)

Slightly soluble in water; soluble in fats

Soluble (in ethanol)

Boiling Point · 3 件

167.00 to 174.00 °C. @ 760.00 mm Hg

167-174º

110-111 °C (10 mm Hg)

Refractive Index · 2 件

1.430-1.440

1.429-1.434

Physical Description · 2 件

Clear colourless liquid; fruity aroma

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

Kovats Retention Index · 3 件

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

物理化学的性質

融点: 2 °C · −2 °C(lit.)
沸点: 123 · 123-126 °C12 mm Hg(lit.)
比重(密度): 0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
FEMA: 3675 · 3675 | ETHYL TRANS-2-HEXENOATE
屈折率: 20 · n20/D 1.46(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
臭い (Odor): 100 %で。グリーン · 100.00%で。グリーンフルーティートロピカルジューシーパパイヤマルメロワインのようなラミーオレンジ野菜
においのタイプ: 緑
JECFA Number: 1808 · 1808
BRN: 1701323 · 1701323
LogP: 2.91 · 2.91
CAS データベース: 27829 · 27829-72-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethyl 2-hexenoate(27829-72-7)
EPAの化学物質情報: 2 · 2-Hexenoic acid, ethyl ester, (2E)- (27829-72-7)

化学的性質

化学的特性Ethyl trans-2-hexenoate has a fruity, green, pulpy pineapple and apple odor.

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

法規制情報

Regulatory Information · 4 件

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

安全データ

wgk: 2
tsca: TSCA listed
rtecs: MP7750000
ridadr: UN 3265 8/PG 2
hs_code: 29171900
risk_code: 34-10
消防法: 危-4-2-III
hazard_code: C
safety_code: 26-27-28-36/37/39-36/39-45-35-3/9-36-15
hazard_class: 3
packing_group: III

化学と産業

薬理情報

Cellular LocationsExtracellular；Membrane

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

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

応用分野

天然物の起源Reported found in apple brandy, cognac, grape brandy, concord grapes, wild grapes, passion fruit, quince, strawberry, guava, pineapple, pawpaw and wood apple.

使用(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).

上流・下流製品情報

下流製品

酪酸trans-2-ヘキセニル

サプライヤー100 社

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]

化合物ノート

読み込み中…

(2E)-2-ヘキセン酸エチル

基本情報