Basic information
- CAS
58654-67-4- Standard SMILES
CCCC(C)CCC(C)=O- InChIKey
UPVLGOPSYZTLGB-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 5-Methyl-2-octanone
- IUPAC
- 5-methyloctan-2-one
- English name
- 5-Methyl-2-octanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
5-Methyl-2-octanone58654-67-42-OCTANONE, 5-METHYL-DTXSID4041444XUT0C28KSIDTXCID20214444-methylheptylketoneRefChem:103126261-382-45-Methyloctan-2-oneMethyl 3-methylhexyl ketoneMFCD00059414
Show more names
methyloctanone5-methyl-2-octanon5-Methyl-2-octanone>5-methyl-2-octanone, tech.3-Methylhexylmethyl ketone5-METHYL-2-OCTANONE: TECH., 75%, CONT. 5-NONANONE CA 10%
EINECS 261-382-4UNII-XUT0C28KSIBRN 17463333-01-00-02890 (Beilstein Handbook Reference)SCHEMBL1247266SCHEMBL6363664UPVLGOPSYZTLGB-UHFFFAOYSA-NTox21_303922
Database identifiers
- CAS
58654-67-4- PubChem CID
- 42802
- DTXSID
DTXSID4041444- UNII
- XUT0C28KSI
- EC Number
- 261-382-4
- Nikkaji
- J208.684K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 96.9
Experimental & physicochemical properties
LogP2.92
Physicochemical properties
- Melting point
- -18.52 °C · -18.52°C (estimate)
- Boiling point
- 102 °C · 102 °C / 50mmHg
- Density
- 0.83 · 0.83
- refractive index
- 1.421 · 1.4210-1.4250
- form
- clear liquid
- color
- Colorless to Light yellow
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 C28KSI · XUT0C28KSI
- EPA Substance Registry System
- 2 · 2-Octanone, 5-methyl- (58654-67-4)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Octanone, 5-methyl-
2-Octanone, 5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- RH1535000
- ridadr
- 1224
- hs_code
- 2914.19.0000
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 24/25
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Octanone, 5-methyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers17 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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