데카논(3-)

3-Decanone

HCID 13576CAS 928-80-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCC(=O)CC
InChIKey
XJLDYKIEURAVBW-UHFFFAOYSA-N
분자식
C10H20O
평균 분자량
156.26 g/mol
단동위원소 질량
156.15141526

개요

3-decanone is a ketone that is decane in which the methylene hydrogens at position 3 are replaced by an oxo group. It has a role as a metabolite and a food additive. It derives from a hydride of a decane.

이름 및 식별자

우선 이름
3-Decanone
IUPAC
decan-3-one
현지명
데카논(3-)
영어명
3-Decanone
분자식
C10H20O
분자량
156.27

이름 및 동의어

3-DECANONEdecan-3-oneEthyl heptyl ketoneUNII-CBT4991PRJCBT4991PRJEINECS 213-183-93-DECANONE [FHFI]DTXSID2061303FEMA NO. 3966CHEBI:87309RefChem:93622DTXCID2048820
이름 더 보기
3-데카논3-데칸온데카논(3-)3-데칸온(3-DECANONE)FEMA 39663-Decanone>3-Decanone,99%3-DECANONE 97+%
XJLDYKIEURAVBW-UHFFFAOYSA-N928-80-3Ethyl n-heptyl ketoneMFCD000095543-Decanone, 98%3-Decanone, >=97%SCHEMBL105548SCHEMBL4740311

데이터베이스 식별자

CAS
928-80-3
PubChem CID
13576
DTXSID
DTXSID2061303
ChEMBL
CHEMBL4642900
ChEBI
CHEBI:87309
UNII
CBT4991PRJ
EC Number
213-183-9
Nikkaji
J80.015E

물성

구조 계산 물성

XLogP
3.6
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
7
무거운 원자 수
11

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.820-0.830
Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
4 · −4-−3 °C(lit.)
끓는 점
204 · 204-205 °C(lit.)
밀도
0.825 g/mL · 0.825 g/mL at 25 °C(lit.)
FEMA
3966 · 3966 | 3-DECANONE
굴절률
20 · n20/D 1.4240(lit.)
인화점
143 °F · 143 °F

화학적 성질

3-Decanone has a citrus-orange, floral and slightly fatty odor.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

Not Classified

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 3-Decanone

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

3-Decanone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
HS 번호
2914790090
hazard_code
Xi
포장분류
III

화학 및 산업

약리 정보

Cellular LocationsMembrane

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 Information3-Decanone: ACTIVE

응용 분야

출처Reportedly present in bananas, mushrooms, lemon peel oil, mentha oil, butter (heated) and shrimp (cooked).

제조 방법

Prepared by a patented process by the oxidation of alkanes with oxygen using a catalyst under mild conditions. Also prepared by palladium(II)-catalyzed Wacker oxidation of 1-decene in the presence of acid (HClO4).

상·하류 제품 정보

하류 제품

공급사36 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

추가 설명

정의ChEBI: A ketone that is decane in which the methylene hydrogens at position 3 are replaced by an oxo group.

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