Basic information
- CAS
24863-70-5- Standard SMILES
CCCCCC1=C(CC(=O)OC)CCC1=O- InChIKey
GJYFXPRHTPSOMM-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Overview
See also: Methyl (3-oxo-2-pentylcyclopent-1-EN-1-YL)acetate (annotation moved to).
Names & identifiers
- Preferred name
- 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
- IUPAC
- methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetate
- English name
- methyl 2-(3-oxo-2-pentyl-1-cyclopentenyl)acetate
- Molecular formula
- C13H20O3
- Molecular weight
- 224.3
Names & synonyms
24863-70-51-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl estermethyl 2-(3-oxo-2-pentylcyclopent-1-en-1-yl)acetateDTXSID10179574EC 607-449-7methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetateRefChem:431758DTXCID70102065607-449-7methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetatemethyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetateSCHEMBL2142693
Show more names
methyl 2-(3-oxo-2-pentyl-1-cyclopentenyl)acetate3-Oxo-2-pentyl-1-cyclopentene-1-acetic acid methyl ester2-Pentyl-3-oxo-1-cyclopentene-1-acetic acid methyl ester
NS00007225methyl 3-oxo-2-pentyl-1-cyclopentene-acetatemethyl-3-oxo-2-pentyl-1-cyclopentene-acetatemethyl(2-pentyl-3-keto-1-cyclopentenyl-)acetatemethyl (2-pentyl-3-keto-1-cyclopentenyl-)acetatemethyl2-(3-oxo-2-pentylcyclopent-1-en-1-yl)acetate
Database identifiers
- CAS
24863-70-5- PubChem CID
- 90634
- DTXSID
DTXSID10179574- EC Number
- 607-449-7
- Nikkaji
- J144.669J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 262 ℃ · 262℃ at 101.3kPa
- Density
- 1.027 · 1.027[at 20℃]
- vapor pressure
- 0.029 Pa · 0.029Pa at 20℃
- form
- Liquid
- LogP
- 2.43 at · 2.43 at 20℃ and pH6.38-8.55
- Surface tension
- 44.2 mN/m · 44.2mN/m at 1g/L and 20℃
- EPA Substance Registry System
- 1 · 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester (24863-70-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 08-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12349
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester: ACTIVE
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
8 records
Compound notes
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