1-Allylcyclopropanecarboxylic acid
Basic information
- CAS
80360-57-2- Standard SMILES
C=CCC1(C(=O)O)CC1- InChIKey
YCHKQUJFRCYZQT-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 1-Allylcyclopropanecarboxylic acid
- IUPAC
- 1-prop-2-enylcyclopropane-1-carboxylic acid
- English name
- 1-Allylcyclopropanecarboxylic acid
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
1-Allylcyclopropanecarboxylic acid80360-57-2DTXSID80339542RefChem:227403DTXCID20290623YCHKQUJFRCYZQT-UHFFFAOYSA-N1-(prop-2-en-1-yl)cyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 1-(2-propenyl)-MFCD120263541-prop-2-enylcyclopropane-1-carboxylic acidSCHEMBL5175711-Allylcyclopropanecarboxylicacid
Show more names
1-allylcyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 1-(2-propen-1-yl)-
(2-propenyl)cyclopropanecarboxylicFDA36057SBB053467AKOS0063182261-allyl-cyclopropane-1-carboxylic acidPB479421-prop-2-enylcyclopropanecarboxylic acidSY096914
Database identifiers
- CAS
80360-57-2- PubChem CID
- 556871
- DTXSID
DTXSID80339542- EC Number
- 162-275-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 207.8 · 207.8±9.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 4.74 · 4.74±0.20(Predicted)
- Appearance
- colourless liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302-H319
- Precautionary statements
- 210 · P210-P305+P351+P338
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H302-H319
- Precautionary statements
- P210-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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