3-Methylcyclohexanone (HCID 11567)

概要

3-methylcyclohexanone is a member of cyclohexanones.

名称と識別子

優先名称: 3-Methylcyclohexanone
IUPAC: 3-methylcyclohexan-1-one
英語名: 3-methylcyclohexan-1-one
分子式: C7H12O
分子量: 0

名称と別名

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

名称をさらに表示

FEMA NO. 3947DTXSID50862256(RS)-3-METHYLCYCLOHEXANONE2-07-00-00018 (Beilstein Handbook Reference)3-METHYLCYCLOHEXANONE [FHFI]TetrahydromcresolCyclohexanone, 3methylMethyl3 cyclohexanone1

データベース識別子

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

物性

構造計算による物性

XLogP: 1.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 96.6

実験および物理化学的性質

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 · 2 件

insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Boiling Point169-170 °C

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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%)

安全と保護具

Threshold Limit Values (TLV)20.0 [ppm]

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

UsesUsed as flavoring agent or adjuvant; [FDA]

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 InformationCyclohexanone, 3-methyl-: ACTIVE

上流・下流製品情報

下流製品

3-メチルシクロヘキサノンオキシム 2-Amino-5-Methyl-4,5,6,7-Tetrahydrobenzo[B]Thiophene-3-Carboxamide

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]

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]

3-Methylcyclohexanone

基本情報

概要