trans-2-Decenoic acid (HCID 5282724)

개요

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.

이름 및 식별자

우선 이름: trans-2-Decenoic acid
IUPAC: (E)-dec-2-enoic acid
영어명: trans-2-Decenoic acid
분자식: C10H18O2
분자량: 170.25

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 7
무거운 원자 수: 12
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

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 · 2건

Soluble in oils

Soluble (in ethanol)

물리화학적 성질

녹는점: 18.83 °C · 18.83°C (estimate)
끓는 점: 135 · 135-121 °C (2.5 mmHg)
밀도: 0.925 · 0.925
굴절률: 1.46 · 1.46-1.464
FEMA: 3913 · 3913 | 2-DECENOIC ACID
인화점: 160 °C · 160 °C
저장 조건: 2 · 2-8°C
용해도: 100 mg/mL · DMSO : 100 mg/mL (587.37 mM; Need ultrasonic)
물리적 상태: 투명한 액체
산도 계수 (pKa): 4.81 · 4.81±0.10(Predicted)
색상: 무색~연황색
냄새: 100 %에서 · 100.00%에서. 달콤하고 신선한 과일향과 기름진 왁스 같은
냄새 유형: 과일 같은
JECFA Number: 1372 · 1372
LogP: 3.715 · 3.715 (est)

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 2건

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 · 3건

Skin Corr. 1B (33.3%)

Skin Irrit. 2 (100%)

Not Classified

안전 데이터

HS 번호: 2916.19.3000
risk_code: 34
hazard_code: C
safety_code: 45-36/37/39-25
기존화학 물질: KE-09514

화학 및 산업

약리 정보

Cellular LocationsExtracellular

Metabolite PathwaysFatty Acid Biosynthesis

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationDecenoic acid: ACTIVE

응용 분야 · 3건

개요trans-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.

출처Reported found in lamb, pork fat, black tea and wort.

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