기본 정보
- CAS
13019-20-0- 표준 SMILES
CCCCC(=O)C(C)C- InChIKey
XYYMFUCZDNNGFS-UHFFFAOYSA-N- 분자식
- C8H16O
- 평균 분자량
- 128.21 g/mol
- 단동위원소 질량
- 128.12011513
개요
2-Methyl-3-heptanone is a ketone.
이름 및 식별자
- 우선 이름
- 2-Methyl-3-heptanone
- IUPAC
- 2-methylheptan-3-one
- 현지명
- 메틸(2-)3-헵타논
- 영어명
- 2-Methyl-3-heptanone
- 분자식
- C8H16O
- 분자량
- 128.21
이름 및 동의어
2-METHYL-3-HEPTANONE2-Methylheptan-3-one3-Heptanone, 2-methyl-Butyl isopropyl ketone2-Methylheptanone-(3)UNII-CH4JHS76WYCH4JHS76WYEINECS 235-877-0NSC 21978NSC-21978DTXSID3073395FEMA NO. 4000
이름 더 보기
2-메틸-3-헵탄온2-메틸-3-헵타논메틸(2-)3-헵타논2-메틸-3-헵타논(2-METHYL-3-HEPTANONE)2-methyl-heptan-3-oneMethylheptanone3-Heptanone,2-methyl-FEMA 4000Linezolid Impurity 1552-Methyl-3-heptanone>
XYYMFUCZDNNGFS-UHFFFAOYSA-2-METHYLBUTYL ISOPROPYL KETONE2-METHYLHEPTAN-3-ONE [FHFI]RefChem:88084DTXCID60339563-Heptanone, 2-methyl-(8CI)3-Heptanone, 2-methyl-(8CI)(9CI)2371-19-9
데이터베이스 식별자
- CAS
13019-20-0- PubChem CID
- 25611
- DTXSID
DTXSID3073395- ChEBI
CHEBI:195851- UNII
- CH4JHS76WY
- EC Number
- 235-877-0
- Nikkaji
- J133.675D
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 84.6
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.811-0.821
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fats
Miscible at room temperature (in ethanol)
Boiling Point158-160 °C
Refractive Index1.408-1.413
Physical DescriptionColourless to pale yellow liquid
물리화학적 성질
- 녹는점
- -32.24 °C · -32.24°C (estimate)
- 끓는 점
- 158 · 158-160 °C (lit.)
- 밀도
- 0.816 g/mL · 0.816 g/mL at 25 °C (lit.)
- FEMA
- 4000 · 4000 | 2-METHYLHEPTAN-3-ONE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Methylheptan-3-one: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1224 3/PG 3
- HS 번호
- 29141900
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- 포장분류
- III
- 위험 등급
- 3.2
- 기존화학 물질
- KE-24170
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
출처Reportedly present in Muscadine grapes (Vitis rotundifolia), cooked chicken and wine (white and rose).
용도2-Methyl-3-heptanone was used as an internal standard in dynamic headspace sampling, direct solvent extraction and vacuum simultaneous steam distillation–solvent extraction for sample preparation in volatile compound analysis in Thai soy sauce. It was used as an internal standard in the identification of volatile flavor compounds of stored nonfat dry milk using gas chromatography-olfactometry and aroma extract dilution analysis.
일반 설명2-Methyl-3-heptanone is a colorless to light yellow liquid. It is one of the trace taste- and odor-causing organic compounds present in natural water.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…