Basic information
- CAS
3744-02-3- Standard SMILES
C=C(C)CC(C)=O- InChIKey
VADUDTKCGJKNDY-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Overview
4-Methyl-4-penten-2-one is a ketone.
Names & identifiers
- Preferred name
- 4-Penten-2-one, 4-methyl-
- IUPAC
- 4-methylpent-4-en-2-one
- English name
- 4-Penten-2-one, 4-methyl-
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
4-methylpent-4-en-2-one4-Penten-2-one, 4-methyl-4-Methyl-4-penten-2-oneISOMESITYL OXIDEIsopropenyl acetone2-Methylene-4-pentanalP549RW6459DTXSID4073966UNII-P549RW6459CH3C(O)CH2C(CH3)=CH2AI3-24338RefChem:100299
Show more names
2-Methyl-1-pentene-4-oneValproic Acid Impurity 504-methyl-4-pentylene-2-onePentoxifylline Impurity 18Methyl-4-pentene-2-one, 4-isomesityl oxid (4-Penten-2-one, 4-methyl-)
DTXCID7039331VADUDTKCGJKNDY-UHFFFAOYSA-N3744-02-3MFCD00071647Isopropenylacetone3-Acetylisobutene4-methyl-pent-4-en-2-one4-penten-2-one, 4-methyl
Database identifiers
- CAS
3744-02-3- PubChem CID
- 19543
- DTXSID
DTXSID4073966- ChEBI
CHEBI:173332- UNII
- P549RW6459
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.3
- 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 PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.8411 @25 °C
Boiling Point124.2 °C @760 [mm Hg]
Melting Point-72.6 °C
Physicochemical properties
- Melting point
- -72.6 °C · -72.6°C
- Boiling point
- 138.68 °C · 138.68°C (estimate)
- Density
- 0.8411 · 0.8411
- refractive index
- 1.4251 · 1.4251 (estimate)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. pungent vegetable acrylic
- Odor Type
- vegetable
- LogP
- 1.16 · 1.160
- Substances Added to Food (formerly EAFUS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information4-Penten-2-one, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety & protection
Protective Action Criteria (PAC)
25 [ppm]
830 [ppm]
5000 [ppm]
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Downstream products
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
1 records
Compound notes
Loading…