3-Methyl-3-penten-2-one
Basic information
- CAS
565-62-8- Standard SMILES
CC=C(C)C(C)=O- InChIKey
ZAMCMCQRTZKGDX-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Overview
3-methyl-3-penten-2-one has been reported in Terminalia chebula and Cornus officinalis with data available.
Names & identifiers
- Preferred name
- 3-Methyl-3-penten-2-one
- IUPAC
- 3-methylpent-3-en-2-one
- English name
- 3-Methyl-3-penten-2-ol
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
3-Methylpent-3-en-2-one3-Methyl-3-penten-2-one565-62-8DTXSID4041490UNII-70TS08S7543-Penten-2-one, 3-methyl-EINECS 209-283-7NSC 758363-Methyl-3-pentene-2-oneEC 209-283-770TS08S754DTXCID3032410
Show more names
(E)-3-Methylpent-3-en-2-one3-methylpentenone1-Phenyl-3-hexanonCH3CH=C(CH3)C(=O)CH33-methyl-3-penten-2-on3-Methyl-3-penten-2-ol
NSC-75836RefChem:947582-OXO-3-METHYL-3-PENTENEtrimethylacrolein3-Methyl-2-penten-4-one3-Methyl-pent-3-en-2-one2-Acetyl-2-buteneAKOS028109771
Database identifiers
- CAS
565-62-8- PubChem CID
- 79048
- DTXSID
DTXSID4041490- EC Number
- 209-283-7
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -70 °C · -70°C
- Boiling point
- 140 °C · 140 °C
- Density
- 0.875 g/cm3 · 0.875 g/cm3 (at 20 °C)
- refractive index
- 1.44 · 1.44
- Flash point
- 34 °C · 34 °C (93 °F) (closed cup)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 29.1 g/l · 29.1g/l
- form
- Clear liquid
- color
- Clear colorless to yellow
- PH
- 3.9 · 3.9 (10g/l, H2O, 20℃)
- Odor
- sweaty
- BRN
- 1719967 · 1719967
- Stability
- Stable. Flammable. Incompatible with strong oxidizing agents.
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+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 156 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 3-Penten-2-one, 3-methyl-
3-Penten-2-one, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Penten-2-one, 3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3-methylpent-3-en-2-one (EC: 209-283-7)
3-Penten-2-one, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1224 3/PG 3
- hs_code
- 2914790090
- risk_code
- 10-36/37/38
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesOther
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
3-Penten-2-one, 3-methyl-: ACTIVE
Applications
Uses3-Methyl-3-penten-2-one is used in preparation method of Ambrotone-based spice and its application in spice or fixative.
Suppliers
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Related reactions
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No reaction records under the current filter.
Compound notes
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