3-메틸사이클로헥산-1-온

3-Methylcyclohexanone

HCID 11567CAS 591-24-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1CCCC(=O)C1
InChIKey
UJBOOUHRTQVGRU-UHFFFAOYSA-N
분자식
C7H12O
평균 분자량
112.17 g/mol
단동위원소 질량
112.088815

개요

3-methylcyclohexanone is a member of cyclohexanones.

이름 및 식별자

우선 이름
3-Methylcyclohexanone
IUPAC
3-methylcyclohexan-1-one
현지명
3-메틸사이클로헥산-1-온
영어명
3-methylcyclohexan-1-one
분자식
C7H12O
분자량
0

이름 및 동의어

3-METHYLCYCLOHEXANONE3-methylcyclohexan-1-oneCyclohexanone, 3-methyl-Methyl-3 cyclohexanone-1Methyl-3 cyclohexanone-1 [French]NSC 3709EINECS 209-710-7Tetrahydro-m-cresolBRN 0969804255L4HTY2BAI3-05634NSC-3709
이름 더 보기
3-메틸사이클로헥산-1-온
FEMA NO. 3947DTXSID50862256(RS)-3-METHYLCYCLOHEXANONE2-07-00-00018 (Beilstein Handbook Reference)3-METHYLCYCLOHEXANONE [FHFI]TetrahydromcresolCyclohexanone, 3methylMethyl3 cyclohexanone1

데이터베이스 식별자

CAS
591-24-2、625-96-7
PubChem CID
11567
DTXSID
DTXSID50862256
ChEBI
CHEBI:195391
UNII
255L4HTY2B
EC Number
209-710-7
Nikkaji
J1.214I

물성

구조 계산 물성

XLogP
1.4
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatic Ketones, Other
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.914-0.919
Flavoring AgentsEU Flavoring substances
Solubility · 2건

insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Boiling Point169-170 °C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 123 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Cyclohexanone, 3-methyl-

Regulation (EC) No 1334/2008 (amended)

Status: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25161

3-Methylcyclohexanone: 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 human health
Hazards Summary · 1건

TLV Basis is liver effects and CNS impairment. TLV-TWA is 20 ppm for Methylcyclohexanone (mixture of the 3 isomers), CAS number 1331-22-2. Causes liver toxicity in feeding study of rats. [ACGIH] Causes changes in cardiac rate and lowered blood pressure in intravenous lethal-dose studies of dogs (LDLo = 310 mg/kg); [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS] See Cyclohexanone.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 및 보호

Threshold Limit Values (TLV)20.0 [ppm]

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationCyclohexanone, 3-methyl-: ACTIVE

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

관련 반응

28건
반응 기록 만들기

연결된 노트

불러오는 중…