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Basic information
- CAS
626-33-5- Standard SMILES
CCCC(=O)CC(C)C- InChIKey
AKRJXOYALOGLHQ-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
4-Heptanone, 2-methyl- has been reported in Plectranthus glabratus with data available.
Names & identifiers
- Preferred name
- 2-Methyl-4-heptanone
- IUPAC
- 2-methylheptan-4-one
- English name
- 2-METHYL-4-HEPTANONE
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2-Methyl-4-heptanone2-Methylheptan-4-one626-33-54-Heptanone, 2-methyl-9EPS3PVK5GDTXSID4060816RefChem:88131DTXCID6043414210-943-1Isobutyl propyl ketoneMFCD00027143ISOBUTYL n-PROPYL KETONE
Show more names
2-Methylheptan-4-on2-methyl-4-heptanon4-Heptanone,2-methyl-2-Methyl-4-heptanone>ISOBUTYL N-PROPYL KETONE
EINECS 210-943-1AI3-28138UNII-9EPS3PVK5GSCHEMBL104701SCHEMBL128865SCHEMBL9530489SCHEMBL22721287SCHEMBL25401667
Database identifiers
- CAS
626-33-5- PubChem CID
- 69378
- DTXSID
DTXSID4060816- UNII
- 9EPS3PVK5G
- EC Number
- 210-943-1
- Nikkaji
- J110.710K
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.6
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SpringerMaterials PropertiesDensity
Boiling Point155 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- -32.24 °C · -32.24°C (estimate)
- Boiling point
- 155 °C · 155°C
- Density
- 0 · 0,81 g/cm3
- refractive index
- 1.409 to · 1.4090 to 1.4110
- Flash point
- 44 °C · 44°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- LogP
- 2.35 · 2.350 (est)
- FDA UNII
- 9 EPS3PVK5G · 9EPS3PVK5G
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
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1224
- hs_code
- 2914199090
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing Information4-Heptanone, 2-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
7 records
Compound notes
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