Basic information
- CAS
37575-80-7- Standard SMILES
C=C1CCC(C(=O)OC)C1- InChIKey
BBAQTZBEINBWBB-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Methyl 3-methylidenecyclopentane-1-carboxylate
- IUPAC
- methyl 3-methylidenecyclopentane-1-carboxylate
- English name
- Cyclopentanecarboxylic acid, 3-methylene-, methyl ester (9CI)
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
37575-80-7methyl 3-methylidenecyclopentane-1-carboxylateRefChem:815584966-044-6Methyl 3-methylenecyclopentanecarboxylateMethyl 3-methylenecyclopentane-1-carboxylateSCHEMBL4463171Cyclopentanecarboxylic acid, 3-methylene-, methyl esterAT27800DA-06335methyl 3-methylenecyclopentane carboxylatemethyl 3-methylene-cyclopentane carboxylate
Show more names
3-Methylenecyclopentanecarboxylic acid methyl esterCyclopentanecarboxylic acid, 3-methylene-, methyl ester (9CI)
3-methylene-cyclopentane-1-carboxylic acid methyl ester
Database identifiers
- CAS
37575-80-7- PubChem CID
- 557110
- EC Number
- 966-044-6
- Nikkaji
- J126.175D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 54 °C · 54 °C(Press: 12 Torr)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
宁波苯康基石医药科技有限公司15990591583
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Related reactions
2 records
Compound notes
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