1-(2-Methoxyethyl)cyclopropane-1-carboxylic acid
Basic information
- CAS
1423031-57-5- Standard SMILES
COCCC1(C(=O)O)CC1- InChIKey
IJPWKHUTMBLTJD-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 1-(2-Methoxyethyl)cyclopropane-1-carboxylic acid
- IUPAC
- 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
- English name
- 1-(2-Methoxyethyl)cyclopropanecarboxylic Acid
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
1423031-57-51-(2-methoxyethyl)cyclopropane-1-carboxylic acidRefChem:422382852-086-11-(2-Methoxyethyl)cyclopropanecarboxylic AcidMFCD21669750Cyclopropanecarboxylic acid, 1-(2-methoxyethyl)-1-(2-Methoxyethyl)cyclopropanecarboxylicAcidSCHEMBL29117284YGC03157AC4197AKOS015366312
Show more names
SY034386CS-0446073EN300-114000Z1270131162
Database identifiers
- CAS
1423031-57-5- PubChem CID
- 66023970
- EC Number
- 852-086-1
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 228.9 · 228.9±13.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 4.65 · 4.65±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2918999090 · 2918999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
0 records
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Compound notes
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