Cyclohexaneacetic acid

HCID 21363CAS 5292-21-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)CC1CCCCC1
InChIKey
LJOODBDWMQKMFB-UHFFFAOYSA-N
분자식
C8H14O2
평균 분자량
142.2 g/mol
단동위원소 질량
142.09937969

개요

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

이름 및 식별자

우선 이름
Cyclohexaneacetic acid
IUPAC
2-cyclohexylacetic acid
영어명
Cyclohexylacetic acid
분자식
C8H14O2
분자량
142.2

이름 및 동의어

CYCLOHEXYLACETIC ACIDCyclohexaneacetic acid5292-21-72-cyclohexylacetic acidCyclohexylethanoic acidFEMA No. 2347V43K3TO0HNNSC-2159DTXSID7063762CHEBI:37277RefChem:580487DTXCID8041327
이름 더 보기
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%

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.5
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
10

실험 및 물리화학적 성질

LogP · 2건

2.850

2.31

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

2.88 mg/mL at 25 °C

Slightly soluble in water

Miscible at room temperature (in ethanol)

Boiling Point · 2건

242.00 to 243.00 °C. @ 760.00 mm Hg

242 °C

물리화학적 성질

녹는점
29 · 29-31 °C(lit.)
끓는 점
242 · 242-244 °C(lit.)
밀도
1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.463(lit.)
FEMA
2347 · 2347 | CYCLOHEXANEACETIC ACID
인화점
230 °F · >230 °F

화학적 성질

White to pale yellow low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)

안전 데이터

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

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationCyclohexaneacetic acid: ACTIVE

응용 분야

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

일반 설명Cyclohexaneacetic acid is used as a flavoring agent in the food industry.

상·하류 제품 정보

공급사50 곳

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]

추가 설명

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

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