Basic information
- CAS
1606-47-9- Standard SMILES
C=CC(=O)C(C)C- InChIKey
SNOYUTZWILESAI-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Overview
4-methylpent-1-en-3-one has been reported in Angelica gigas with data available.
Names & identifiers
- Preferred name
- 1-Penten-3-one, 4-methyl-
- IUPAC
- 4-methylpent-1-en-3-one
- English name
- 4-Methyl-1-pentene-3-one
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
4-methylpent-1-en-3-one1606-47-91-PENTEN-3-ONE, 4-METHYL-4-Methyl-1-penten-3-oneDTXSID10166944RefChem:435405DTXCID5089435977-026-2Isopropyl vinyl ketone4-METHYL-1-PENTENE-3-ONEMFCD00129062isopropylvinyl ketone
Show more names
isopropylacroleini-propyl vinyl ketoneiso-C3H7COCH=CH2SCHEMBL2200784-Methyl-1-penten-3-one #SCHEMBL3214909SCHEMBL8620304SCHEMBL17581053
Database identifiers
- CAS
1606-47-9- PubChem CID
- 74152
- DTXSID
DTXSID10166944- EC Number
- 977-026-2
- Nikkaji
- J100.691F
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 82.2
Physicochemical properties
- Boiling point
- 50 °C · 50 °C(Press: 90 Torr)
- Density
- 0.837 g/cm3 · 0.837 g/cm3
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Chemistry & industry
Suppliers2 total
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
5 records
Compound notes
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