기본 정보
- 표준 SMILES
CCCCCCCC(C)=O- InChIKey
VKCYHJWLYTUGCC-UHFFFAOYSA-N- 분자식
- C9H18O
- 평균 분자량
- 142.24 g/mol
- 단동위원소 질량
- 142.1357652
개요
Methyl heptyl ketone is a colorless liquid. (USCG, 1999)
이름 및 식별자
- 우선 이름
- 2-Nonanone
- IUPAC
- nonan-2-one
- 영어명
- 2-Nonanone
- 분자식
- C9H18O
- 분자량
- 142.23862
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
821-55-6- PubChem CID
- 13187
- DTXSID
DTXSID2022125- ChEMBL
CHEMBL2228473- ChEBI
CHEBI:77927- UNII
- ZE5K73YN2Z
- EC Number
- 212-480-0
- Nikkaji
- J7.123D
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 86.7
실험 및 물리화학적 성질
LogP
3.14
3.18
Density
0.832 (USCG, 1999) - Less dense than water; will float
0.817-0.823
0.832 @ 30°C
Solubility
0.371 mg/mL at 25 °C
soluble in alcohol, propylene glycol, oil; insoluble in water
1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
377.6 °F at 743 mmHg (USCG, 1999)
192.00 °C. @ 743.00 mm Hg
195 °C
194 °C @760 [mm Hg]
Melting Point
-5.8 °F (USCG, 1999)
-15 °C
-9 °C
물리화학적 성질
- 녹는점
- -7.5 °C · -7.5 °C
- 끓는 점
- 195.3 °C · 195.3 °C
- 밀도
- 0.8188 g/cm3 · 0.8188 g/cm3(Temp: 22 °C)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (9 of 1697) of reports.
Warning
H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1697 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Nonanone
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17523
2-Nonanone: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
Ketones, such as METHYL HEPTYL KETONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
안전 및 보호
Protective Action Criteria (PAC)
9.6 [mg/m3]
110 [mg/m3]
630 [mg/m3]
독성 정보
화학 및 산업
약리 정보
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
공급사50 곳
관련 반응
연결된 노트
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