2-メチル-2-ヘキセン酸

2-Hexenoic acid, 2-methyl-

HCID 5282650CAS 28897-58-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC/C=C(\C)C(=O)O
InChIKey: AKOVMBAFZSPEQU-AATRIKPKSA-N
分子式: C7H12O2
平均分子量: 128.17 g/mol

概要

2-methyl-2E-hexenoic acid is a medium-chain fatty acid.

名称と識別子

優先名称: 2-Hexenoic acid, 2-methyl-
IUPAC: (E)-2-methylhex-2-enoic acid
現地名: 2-メチル-2-ヘキセン酸
英語名: 2-Methyl-2-hexenoic acid
分子式: C7H12O2
分子量: 128.17

名称と別名

2-Methyl-2-hexenoic acid28897-58-72-Hexenoic acid, 2-methyl-EINECS 249-294-4DTXSID0067422RefChem:472887DTXCID2037891(E)-2-methylhex-2-enoic acid(E)-2-methyl-2-hexenoic acid2-methyl-2E-hexenoic acid(2E)-2-Methylhex-2-Enoic Acid97961-66-5

名称をさらに表示

2-メチル-2-ヘキセン酸2-メチルヘキサ-2-エン酸2-Methyl-2-hexenoicRARECHEM AL BM 01622-methyl-2-hexenoicaci2-methylhex-2-enoic acid2-Methyl-2-hexenoicAcid>2-Hexenoic acid, 2-methyl-

2-Hexenoic acid, 2-methyl-, (2E)-MFCD00015855(2E)-2-Methyl-2-hexenoic acidEZM6AC2ZNF2-Methylhex-2-enoicacidSCHEMBL23310SCHEMBL6722403trans-2-methyl-hex-2-enoic acid

データベース識別子

CAS: 28897-58-7、97961-66-5
PubChem CID: 5282650
ChEBI: CHEBI:179470
UNII: EZM6AC2ZNF
EC Number: 249-294-4
Nikkaji: J286.475D、J764.838C

物性

構造計算による物性

XLogP: 2
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: 3
重原子数: 9
形式電荷: 0
複雑度: 125

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: -9.25 °C · -9.25°C (estimate)
沸点: 89 °C · 89 °C / 1mmHg
比重(密度): 0.97 · 0.97
屈折率: 1.4273 · 1.4273 (estimate)
闪点: 86 °C · 86°C
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: liquid
色: Colourless
臭い (Odor): 100 %で。フルーティーなチーズ · 100.00%で。フルーティーなチーズ
においのタイプ: 俗っぽいです
LogP: 2.095 · 2.095 (est)
EPAの化学物質情報: 2 · 2-Hexenoic acid, 2-methyl- (28897-58-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (96.7%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 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: 2-Hexenoic acid, 2-methyl-

2-Hexenoic acid, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesMet. Corr. 1 (96.7%)

安全データ

tsca: TSCA listed
ridadr: 3265
hs_code: 2916199590
risk_code: 34-36
hazard_code: Xi
safety_code: 26-27-36/37/39
hazard_class: 8
packing_group: III

化学と産業

用途と製造

General Manufacturing Information2-Hexenoic acid, 2-methyl-: ACTIVE

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