CAS 25447-95-4 Hexadecenoic Acid (HCID 5282743)

基本情報

CAS: 25447-95-4
標準SMILES: CCCCCCCCCCCCC/C=C/C(=O)O
InChIKey: ZVRMGCSSSYZGSM-CCEZHUSRSA-N
分子式: C16H30O2
平均分子量: 254.41 g/mol
単同位体質量: 254.2245802

概要

(E)-hexadec-2-enoic acid is a hexadecenoic acid having a trans-double bond at the 2-position. It has a role as a metabolite. It is a hexadecenoic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of an (E)-hexadec-2-enoate.

名称と識別子

優先名称: Hexadecenoic Acid
IUPAC: (E)-hexadec-2-enoic acid
英語名: hexadecenoic acid
分子式: C16H30O2
分子量: 254.41

名称と別名

Hexadecenoic acid25447-95-4fatty acid 16:1RefChem:472851DTXSID1075014CHEBI:245482-hexadecenoic acid(E)-hexadec-2-enoic acid629-56-1Gaidic acidtrans-hexadec-2-enoic acid929-79-3

名称をさらに表示

trans-2-Hexadecenoic acid(2E)-hexadec-2-enoic acidDelta2-trans-Hexadecenoic AcidMFCD00045907(2E)-2-Hexadecenoic acid2-palmitoleic acidTrans-Hexa-dec-2-enoic acidCHEMBL4285532

データベース識別子

CAS: 25447-95-4、629-56-1、929-79-3
PubChem CID: 5282743
DTXSID: DTXSID201312626
ChEMBL: CHEMBL4285532
ChEBI: CHEBI:37252
EC Number: 679-899-2
Nikkaji: J150.285I、J95.437C

物性

構造計算による物性

XLogP: 7
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: 13
重原子数: 18
形式電荷: 0
複雑度: 209

実験および物理化学的性質

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

Physical DescriptionSolid

物理化学的性質

EPAの化学物質情報: Hexadecenoic acid (25447-95-4)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2-Hexadecenoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Dam. 1 (97.5%)

化学と産業

薬理情報

Cellular LocationsExtracellular

Metabolite PathwaysFatty Acid Biosynthesis

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化合物ノート

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