Basic information
- CAS
98730-93-9- Standard SMILES
COC(=O)C(O)C1CC1- InChIKey
GZILGVPTLJAVCB-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
Names & identifiers
- Preferred name
- Methyl cyclopropyl(hydroxy)acetate
- IUPAC
- methyl 2-cyclopropyl-2-hydroxyacetate
- English name
- Methyl 2-cyclopropyl-2-hydroxyacetate
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
98730-93-9methyl cyclopropyl(hydroxy)acetateRefChem:817701834-936-3methyl 2-cyclopropyl-2-hydroxyacetateMFCD16693890Methyl 2-cyclopropyl-2-hydroxy-acetatecyclopropyl-hydroxy-acetic acid methyl esterSCHEMBL1485389SCHEMBL27698799GZILGVPTLJAVCB-UHFFFAOYSA-NYDA73093
Show more names
Methyl α-hydroxycyclopropaneacetatemethyl 1-cyclopropyl-1-hydroxyacetateCyclopropaneacetic acid, α-hydroxy-, methyl ester
methyl2-cyclopropyl-2-hydroxyacetateAKOS011496314AT46498BS-12395DA-39989SY145609CS-0106465EN300-115960
Database identifiers
- CAS
98730-93-9- PubChem CID
- 11073449
- EC Number
- 834-936-3
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 190.2 · 190.2±13.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H227-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H227 (50%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H227-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers5 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
9 records
Compound notes
Loading…