Ethyl 4-pentenoate (HCID 74786)

概要

Ethyl 4-pentenoate is a fatty acid ester.

名称と識別子

優先名称: Ethyl 4-pentenoate
IUPAC: ethyl pent-4-enoate
現地名: 4-ペンテン酸エチル
英語名: ETHYL 4-PENTENOATE
分子式: C7H12O2
分子量: 128.17

名称と別名

Ethyl 4-pentenoateEthyl pent-4-enoate4-Pentenoic acid ethyl ester4-Pentenoic acid, ethyl ester4-Ethoxycarbonylbut-1-eneEthyl pent-4-en-1-oateUNII-210UM0F8JP210UM0F8JPFEMA NO. 4360EINECS 217-818-0AI3-37200DTXSID7062089

名称をさらに表示

4-ペンテン酸エチルペント-4-エン酸エチルエチル4-ペンテノエートPent-4-enoic aciethyl allylacetateRARECHEM AL BI 1502Ethyl4-Pentenoate>ethyl pent-4-en-1-oateEthyl 4-pentenoate, 98+%Ethyl pent-4-enoate, 98+%

PTVSRINJXWDIKP-UHFFFAOYSA-ETHYL 4-PENTENOATE [FHFI]RefChem:138791DTXCID0036136InChI=1/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3PTVSRINJXWDIKP-UHFFFAOYSA-N1968-40-7MFCD00036562

データベース識別子

CAS: 1968-40-7
PubChem CID: 74786
DTXSID: DTXSID7062089
ChEBI: CHEBI:173494
UNII: 210UM0F8JP
EC Number: 217-818-0
Nikkaji: J199.790D

物性

構造計算による物性

XLogP: 1.5
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: 9
形式電荷: 0
複雑度: 97.1

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]

SpringerMaterials PropertiesChemical shift

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.893-0.903

Solubility · 2 件

Insoluble in water; soluble in propylene glycol

Soluble (in ethanol)

Boiling Point143-145 °C

物理化学的性質

沸点: 40 °C · 40°C 25mm
比重(密度): 0 · 0,9 g/cm3
屈折率: 1.417 · 1.4170
FEMA: 4360 · 4360 | ETHYL 4-PENTENOATE
闪点: 37 °C · 37°C
貯蔵温度: 2 · Storage temp. 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
臭い (Odor): 100 %で。温かいグリーンハーブフルーティーキャラメル · 100.00%で。温かいグリーンハーブフルーティーキャラメル
においのタイプ: エーテル的な
水溶解度: アルコールと混和します。水と混和しない。
JECFA Number: 1618 · 1618
BRN: 1751643 · 1751643
LogP: 1.99 · 1.99
CAS データベース: 1968 · 1968-40-7(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-Pentenoic acid, ethyl ester (1968-40-7)

化学的性質

化学的特性Colorless liquid; green fruity aroma.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (83.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 4-Pentenoic acid, ethyl ester

4-Pentenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (83.3%)

安全データ

tsca: TSCA listed
ridadr: 3272
hs_code: 29153900
risk_code: 10-36
消防法: 危-4-2-III
safety_code: 16-26-60-43-33-7
hazard_class: 3
packing_group: III

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information4-Pentenoic acid, ethyl ester: ACTIVE

応用分野

使用Ethyl 4-pentenoate is found in leaf oil of Prunus phaeosticta phaeosticta from Taiwan. It is also used in the preparation of 5-iodomethyl-dihydro-furan-2-one by reacting with iodine.