기본 정보
- CAS
59191-78-5- 표준 SMILES
CCCCCC(CO)C(C)=O- InChIKey
XLFYWCDNLLZTIW-UHFFFAOYSA-N- 분자식
- C9H18O2
- 평균 분자량
- 158.24 g/mol
- 단동위원소 질량
- 158.13067981
개요
3-(Hydroxymethyl)-2-octanone is an aliphatic alcohol.
이름 및 식별자
- 우선 이름
- 3-(Hydroxymethyl)-2-octanone
- IUPAC
- 3-(hydroxymethyl)octan-2-one
- 현지명
- 3-(히드록시메틸)옥탄-2-온
- 영어명
- 3-(hydroxymethyl)octan-2-one
- 분자식
- C9H18O2
- 분자량
- 158.24
이름 및 동의어
3-(Hydroxymethyl)octan-2-one3-(Hydroxymethyl)-2-octanone3-Hydroxymethyl-2-octanone2-Octanone, 3-(hydroxymethyl)-FEMA No. 3292EINECS 261-652-1UNII-9O1364HRDW9O1364HRDWDTXSID008667443-(HYDROXYMETHYL)-2-OCTANONE [FHFI]RefChem:92656DTXCID50815000
이름 더 보기
3-(히드록시메틸)옥탄-2-온
(+-)-3-HYDROXYMETHYL-2-OCTANONE59191-78-5hydroxymethyl hexyl ethyl ketoneSCHEMBL3506400FEMA 3292CHEBI:179882XLFYWCDNLLZTIW-UHFFFAOYSA-NLMFA05000624
데이터베이스 식별자
- CAS
59191-78-5- PubChem CID
- 62148
- DTXSID
DTXSID00866744- ChEBI
CHEBI:179882- UNII
- 9O1364HRDW
- EC Number
- 261-652-1
- Nikkaji
- J308.643G
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 110
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.874-0.878
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; soluble in oils
Soluble (in ethanol)
Boiling Point78-84 °C (2 mm Hg)
Refractive Index1.416-1.422
Physical DescriptionColourless oily liquid; Musty, herbaceous, earthy aroma
물리화학적 성질
- 끓는 점
- 245 ℃ · 245℃
- 밀도
- 0.919 · 0.919
- 굴절률
- 1.442 · 1.442
- FEMA
- 3292 · 3292 | 3-(HYDROXYMETHYL)-2-OCTANONE
- 인화점
- 101 ℃ · 101℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: 2-Octanone, 3-(hydroxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Octanone, 3-(hydroxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-20669
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Octanone, 3-(hydroxymethyl)-: ACTIVE
응용 분야
개요3-(Hydroxymethyl)-2-octanone has a musty-herbaceous, sweet, slightly earthy odor. May be prepared synthetically by condensation of methyl hexyl ketone with formaldehyde, followed by hydrogenation.
제조 방법
By condensation of methyl hexyl ketone with formaldehyde, followed by hydrogenation.
공급사3 곳
杭州贵驰科技有限公司(+86 571) 2818 0696
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…