Basic information
- CAS
25044-01-3- Standard SMILES
C=C(C)C(=O)CC- InChIKey
GHHGVSCQWPVENX-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 1-Penten-3-one, 2-methyl-
- IUPAC
- 2-methylpent-1-en-3-one
- English name
- 2-Methyl-1-penten-3-one
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
25044-01-32-METHYL-1-PENTEN-3-ONE1-Penten-3-one, 2-methyl-Isopropenyl ethyl ketoneEthyl isopropenyl ketoneUNII-UN317OP2QXUN317OP2QXDTXSID1073448RefChem:76896DTXCID3037202GHHGVSCQWPVENX-UHFFFAOYSA-N2-methylpent-1-en-3-one
Show more names
MFCD01938372Methylathylacrolein2-methyl-pent-1-en-3-oneSCHEMBL134267SCHEMBL1593652-Methyl-1-penten-3-one #SCHEMBL1895993SCHEMBL7528575
Database identifiers
- CAS
25044-01-3- PubChem CID
- 32777
- DTXSID
DTXSID1073448- UNII
- UN317OP2QX
- EC Number
- 811-722-8
- Nikkaji
- J129.212I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -69.5 °C · -69.5°C
- Boiling point
- 138.68 °C · 138.68°C (estimate)
- Density
- 0.853 · 0.8530
- refractive index
- 1.4289 · 1.4289
- FDA UNII
- 317 OP2QX · UN317OP2QX
- EPA Substance Registry System
- 1 · 1-Penten-3-one, 2-methyl- (25044-01-3)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H226
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
This chemical does not meet GHS hazard criteria for 92.5% (37 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H335-H315-H319-H226
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers9 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
济南碳泉新材料有限公司13658618215
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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