Basic information
- CAS
1121-05-7- Standard SMILES
CC1=C(C)C(=O)CC1- InChIKey
UZLQSPYGTUMKGS-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Overview
2,3-Dimethyl-2-cyclopenten-1-one has been reported in Mangifera indica with data available.
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 2,3-dimethyl-
- IUPAC
- 2,3-dimethylcyclopent-2-en-1-one
- English name
- 2,3-Dimethyl-2-cyclopenten-1-one
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
1121-05-72,3-Dimethyl-2-cyclopenten-1-one2-Cyclopenten-1-one, 2,3-dimethyl-2,3-DIMETHYL-2-CYCLOPENTENONEY6A4YU4DWNDTXSID80149901RefChem:4709602,3Dimethyl2cyclopenten1oneDTXCID60723922,3-Dimethylcyclopent-2-en-1-one2,3-dimethylcyclopent-2-enonedimethylcyclopentenone
Show more names
2,3-Dimethylcyclopenta-2-en-1-oneCyclopent-2-en-1-one, 2,3-dimethyl2,3-DiMethyl-2-cyclopenten-1-one 99%
UNII-Y6A4YU4DWNSCHEMBL1615072,3-Dimethyl-cyclopent-2-enoneBAA121052,3-dimethyl-cyclopent-2-en-1-oneMFCD00192078AKOS0159125142,3-Dimethyl-2-cyclopenten-1-one #
Database identifiers
- CAS
1121-05-7- PubChem CID
- 14270
- DTXSID
DTXSID80149901- UNII
- Y6A4YU4DWN
- Nikkaji
- J45.291B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
Physical DescriptionLiquid; [Aldrich MSDS]
Physicochemical properties
- Boiling point
- 80 °C10 · 80 °C10 mm Hg(lit.)
- Density
- 0.968 g/mL · 0.968 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.49(lit.)
- Flash point
- 162 °F · 162 °F
- form
- liquid
- InChI
- 1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3
- InChIKey
- UZLQSPYGTUMKGS-UHFFFAOYSA-N
- SMILES
- CC1=C(C)C(=O)CC1
- FDA UNII
- 6 A4YU4DWN · Y6A4YU4DWN
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Safety & regulation
Hazard information
Hazards SummaryMay cause irritation; [Aldrich MSDS] See Cyclopentanone.
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers25 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
Related reactions
5 records
Compound notes
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