Basic information
- CAS
4485-09-0- Standard SMILES
CCCCCC(=O)CCC- InChIKey
TYBCSQFBSWACAA-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Overview
Nonan-4-one is a ketone.
Names & identifiers
- Preferred name
- 4-Nonanone
- IUPAC
- nonan-4-one
- English name
- 4-Nonanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
4-NonanoneNonan-4-one4485-09-0EINECS 224-770-4DTXSID5063493Nonan4oneRefChem:526040DTXCID2040361224-770-4Amyl Propyl KetonePropyl amyl ketonePentyl Propyl Ketone
Show more names
4-Nonanon4-Nonanone>4-Nonanone,98%amylpropylketonePropylamylketone4-Nonanone, 97+%TIMTEC-BB SBB005828
MFCD00027286n-Pentyl n-propyl ketoneN-Amyl N-propylketoneSCHEMBL127973SCHEMBL129431SCHEMBL129432SCHEMBL6468663SCHEMBL6468666
Database identifiers
- CAS
4485-09-0- PubChem CID
- 78236
- DTXSID
DTXSID5063493- ChEBI
CHEBI:179604- EC Number
- 224-770-4
- Nikkaji
- J47.196H
Properties
Computed structural properties
- XLogP
- 2.8
- 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 PropertiesDensity
Flavoring AgentsEU Flavoring substances
Boiling Point188.00 °C. @ 760.00 mm Hg
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -18.52 °C · -18.52°C (estimate)
- Boiling point
- 187 °C · 187°C
- Density
- 0.819 · 0.819
- refractive index
- 1.419 · 1.419-1.422
- FLAVIS Number
- 7.189 · 07.189 | Nonan-4-one
- Flash point
- 187 °C · 187°C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
4-Nonanone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
- hs_code
- 29141990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319
- Precautionary statements
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing Information4-Nonanone: ACTIVE
Applications
Uses4-Nonanone is used for alkylation in the presence of an array of different metal-complex catalysts. It has been identified as an odour-impact compound and it is used as a food additive.
Upstream & downstream products
Downstream products
Suppliers31 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司
Related reactions
1 records
Compound notes
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