Basic information
- CAS
821-55-6- Standard SMILES
CCCCCCCC(C)=O- InChIKey
VKCYHJWLYTUGCC-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.1357652
Overview
Methyl heptyl ketone is a colorless liquid. (USCG, 1999)
Names & identifiers
- Preferred name
- 2-Nonanone
- IUPAC
- nonan-2-one
- English name
- 2-Nonanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.23862
Names & synonyms
2-NONANONENonan-2-one821-55-6Heptyl methyl ketoneMethyl heptyl ketonebeta-NonanoneKetone, heptyl methylMETHYL N-HEPTYL KETONEFEMA No. 2785NSC 14760DTXSID2022125ZE5K73YN2Z
Show more names
NSC-14760DTXCID002125CHEBI:77927RefChem:88764212-480-0.beta.-NonanoneMFCD000095532-Nonanone-d5
Database identifiers
- CAS
821-55-6- PubChem CID
- 13187
- DTXSID
DTXSID2022125- ChEMBL
CHEMBL2228473- ChEBI
CHEBI:77927- UNII
- ZE5K73YN2Z
- EC Number
- 212-480-0
- Nikkaji
- J7.123D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 86.7
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Nonanone) -> IFRA transparency List
LogP
3.14
3.18
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.832 (USCG, 1999) - Less dense than water; will float
0.817-0.823
0.832 @ 30°C
Flavoring AgentsEU Flavoring substances
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)
Safety & regulation
GHS classification
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.
Hazard information
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
Other Safety InformationIMAP assessments - 2-Nonanone: Environment tier I assessment
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Health HazardsMay be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. (USCG, 1999)
Hazards SummaryMay be a skin and eye irritant; [CAMEO] An irritant; [MSDSonline]
Reactive GroupKetones
Reactivity AlertsHighly Flammable
Reactivity Profile
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Nonanone: ACTIVE
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
18 records
Compound notes
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