CAS 26446-27-5 trans-2-Decenoic acid (HCID 5282724)

概要

Trans-2-decenoic acid is a 2-decenoic acid having its double bond in the trans configuration. It is an intermediate metabolite in the fatty acid synthesis. It has a role as a human metabolite. It is a conjugate acid of a (2E)-decenoate.

名称と識別子

優先名称: trans-2-Decenoic acid
IUPAC: (E)-dec-2-enoic acid
現地名: trans-2-デセン酸
英語名: trans-2-Decenoic acid
分子式: C10H18O2
分子量: 170.25

名称と別名

trans-2-Decenoic Acid334-49-6(E)-2-Decenoic acid2-Decenoic acid, (E)-FEMA NO. 3913CHEBI:50467DTXSID20904657RefChem:933260DTXCID20831232206-378-5(E)-dec-2-enoic acidDecenoic acid

名称をさらに表示

trans-2-デセン酸trans-2-デシレン酸(E)-2-デセン酸(2E)-デカ-2-エン酸2-DECENOIC ACID2-DECYLENIC ACIDFEMA NUMBER 3913T2 DECENOIC ACIDrans-2-decenoicaciRARECHEM AL BK 0166TRANS-2-DECYLENIC ACID2-Decenoic acid, (2E)-

5(6)-Decenoic acid5- and 6-Decenoic acidMFCD0003953072881-27-72E-DECENOIC ACID(2E)-dec-2-enoic acidE-2-Decenoic acidtrans-dec-2-enoic acid

データベース識別子

CAS: 26446-27-5、334-49-6、72881-27-7
PubChem CID: 5282724
DTXSID: DTXSID20904657
ChEMBL: CHEMBL2229622
ChEBI: CHEBI:50467
UNII: 332T8TH7B1
EC Number: 206-378-5、247-698-5、615-866-0
Nikkaji: J79.875D、J98.042K

物性

構造計算による物性

XLogP: 3.8
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 7
重原子数: 12
形式電荷: 0
複雑度: 139

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

FragrancesFragrance Ingredient (5- and 6-Decenoic acid) -> IFRA transparency List

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

Density0.923-0.933

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Soluble in oils

Soluble (in ethanol)

物理化学的性質

融点: 18.83 °C · 18.83°C (estimate)
沸点: 135 · 135-121 °C (2.5 mmHg)
比重(密度): 0.925 · 0.925
屈折率: 1.46 · 1.46-1.464
FEMA: 3913 · 3913 | 2-DECENOIC ACID
闪点: 160 °C · 160 °C
貯蔵温度: 2 · 2-8°C
溶解性: 100 mg/mL · DMSO : 100 mg/mL (587.37 mM; Need ultrasonic)
外見: clear liquid
酸解離定数(Pka): 4.81 · 4.81±0.10(Predicted)
色: Colorless to Light yellow
臭い (Odor): 100 %で。甘いフレッシュフルーティーオイリーワックス状 · 100.00%で。甘いフレッシュフルーティーオイリーワックス状
においのタイプ: フルーティーな
JECFA Number: 1372 · 1372
LogP: 3.715 · 3.715 (est)
CAS データベース: 334 · 334-49-6(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 1286 reports by companies from 1 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 92% (126 of 137) of all reports.

Not Classified

危険有害性情報

Regulatory Information · 2 件

Chemical: Decenoic acid

Decenoic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and Categories · 3 件

Skin Corr. 1B (33.3%)

Skin Irrit. 2 (100%)

Not Classified

安全データ

hs_code: 2916.19.3000
risk_code: 34
化審法: (2)-609
消防法: 危-4-3-III
hazard_code: C
safety_code: 45-36/37/39-25

化学と産業

薬理情報

Cellular LocationsExtracellular

Metabolite PathwaysFatty Acid Biosynthesis

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationDecenoic acid: ACTIVE

応用分野 · 3 件

説明trans-2-Decenoic acid is an unsaturated fatty acid found in royal jelly produced from the hypopharyngeal and mandibular gland secretions of honeybees. It is isolated in conjunction with 10-HDA and both demonstrate weak estrogenic activity, inhibiting binding of 17β-estradiol to estrogen receptor β.

天然物の起源Reported found in lamb, pork fat, black tea and wort.

使用trans-2-Decenoic acid demonstrates weak estrogenic activity, inhibiting binding of 17β-estradiol (E888000) to estrogen receptor β.