Basic information
- CAS
16112-10-0- Standard SMILES
CC(=O)C1=CCCC1- InChIKey
SLNPSLWTEUJUGY-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Acetylcyclopentene
- IUPAC
- 1-(cyclopenten-1-yl)ethanone
- English name
- 1-ACETYL-1-CYCLOPENTENE
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
16112-10-01-AcetylcyclopenteneEthanone, 1-(1-cyclopenten-1-yl)-DTXSID80167069RefChem:74823DTXCID50895601-Acetyl-1-cyclopentene1-(cyclopent-1-en-1-yl)ethanone1-(cyclopenten-1-yl)ethanone1-(cyclopent-1-en-1-yl)ethan-1-one1-acetyl-cyclopent-1-ene1-Acetyl-1-cyclopentene, 97%
Show more names
1-Acetylcyclopent-1-ene1-Cyclopent-1-enyl-ethanone1-(1-Cyclopentenyl)ethanone1-Acetyl-1-cyclopentene 97%Methyl (1-cyclopentenyl) ketone
1-cyclopenten-1-yl methyl ketoneMFCD00799464AKOS0091566611-cyclopentenylethanone1-(cyclopenten-1-yl)etSCHEMBL7205981-(1-cyclopentenyl)-ethanone1-Acetyl-1-cyclopentene,97%
Database identifiers
- CAS
16112-10-0- PubChem CID
- 192925
- DTXSID
DTXSID80167069- EC Number
- 803-061-9
- Nikkaji
- J376.955K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 70 °C/20 · 70 °C/20 mmHg (lit.)
- Density
- 0.955 g/mL · 0.955 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.483(lit.)
- Flash point
- 59 °C · 59 °C
- InChI
- 1S/C7H10O/c1-6(8)7-4-2-3-5-7/h4H,2-3,5H2,1H3
- InChIKey
- SLNPSLWTEUJUGY-UHFFFAOYSA-N
- SMILES
- CC(=O)C1=CCCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- RIDADR
- 1224 · UN 1224 3/PG 3
- WGK Germany
- 3 · 3
- HS Code
- 2914290090 · 2914290090
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1224 3/PG 3
- hs_code
- 2914290090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses1-Acetyl-1-cyclopentene may be used in the preparation of the following allenylcycloalkanes:1-vinylidenyl-2-[4-(trimethylsilyl)-3-butynyl]-cyclopentane1-vinylidenyl-2-(3-butynyl)-cyclopentane
General Description1-Acetyl-1-cyclopentene is a cyclic alkene. Its lithium enolate undergoes Brook rearrangement-mediated [3+4] annulation with 3-alkyl-3-haloacryloylsilanes to afford tricyclo[5.3.0.01,4]decenone derivatives. Asymmetric oxidative Heck reaction of 1-acetyl-1-cyclopentene in the presence of a Pd-ligand has been reported.
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
武汉易谊化学科技有限公司
Related reactions
8 records
Compound notes
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