シクロヘキシル酢酸

Cyclohexaneacetic acid

HCID 21363CAS 5292-21-7
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)CC1CCCCC1
InChIKey
LJOODBDWMQKMFB-UHFFFAOYSA-N
分子式
C8H14O2
平均分子量
142.2 g/mol
単同位体質量
142.09937969

概要

Cyclohexylacetic acid is a monocarboxylic acid consisting of cyclohexane carrying a carboxymethyl substituent. It is functionally related to an acetic acid.

名称と識別子

優先名称
Cyclohexaneacetic acid
IUPAC
2-cyclohexylacetic acid
現地名
シクロヘキシル酢酸
英語名
Cyclohexylacetic acid
分子式
C8H14O2
分子量
142.2

名称と別名

CYCLOHEXYLACETIC ACIDCyclohexaneacetic acid5292-21-72-cyclohexylacetic acidCyclohexylethanoic acidFEMA No. 2347V43K3TO0HNNSC-2159DTXSID7063762CHEBI:37277RefChem:580487DTXCID8041327
名称をさらに表示
シクロヘキシル酢酸シクロヘキサン-1-酢酸2-シクロヘキシル酢酸シクロヘキサン酢酸FEMA 3531FEMA 2347NCI 204816AKOS BBS-000037232-cyclohexylacetateTIMTEC-BB SBB008550RARECHEM AL BO 1301
226-132-0cyclohexyl acetic acidMFCD00001518Hexahydrophenylacetic acidCyclohexane-acetic acidAI3-14243WLN: L6TJ A1VQCyclohexaneacetic acid, >=98%

データベース識別子

CAS
5292-21-7
PubChem CID
21363
DTXSID
DTXSID7063762
ChEBI
CHEBI:37277
UNII
V43K3TO0HN
EC Number
226-132-0
Nikkaji
J48.532B

物性

構造計算による物性

XLogP
2.5
極性表面積
37.3 Ų
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
2
重原子数
10

実験および物理化学的性質

LogP · 2 件

2.850

2.31

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.001-1.009
Flavoring AgentsEU Flavoring substances
Solubility · 3 件

2.88 mg/mL at 25 °C

Slightly soluble in water

Miscible at room temperature (in ethanol)

Boiling Point · 2 件

242.00 to 243.00 °C. @ 760.00 mm Hg

242 °C

物理化学的性質

融点
29 · 29-31 °C(lit.)
沸点
242 · 242-244 °C(lit.)
比重(密度)
1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.463(lit.)
FEMA
2347 · 2347 | CYCLOHEXANEACETIC ACID
闪点
230 °F · >230 °F

化学的性質

化学的特性White to pale yellow low melting solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Cyclohexaneacetic acid

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
GU8370000
hs_code
29162090
risk_code
37/38-41-36/37/38
hazard_code
Xi

化学と産業

薬理情報

Cellular LocationsExtracellular

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 InformationCyclohexaneacetic acid: ACTIVE

応用分野

使用Cyclohexylacetic acid is occasionally used in flavor compositions, mainly for imitation Butter and fruit.

一般的な説明Cyclohexaneacetic acid is used as a flavoring agent in the food industry.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

補足説明

定義ChEBI: A monocarboxylic acid consisting of cyclohexane carrying a carboxymethyl substituent.

関連反応

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