2-Cyclopropylbenzoic acid
Basic information
- CAS
3158-74-5- Standard SMILES
O=C(O)c1ccccc1C1CC1- InChIKey
NEWMOJFYPOJQIR-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 2-Cyclopropylbenzoic acid
- IUPAC
- 2-cyclopropylbenzoic acid
- English name
- 2-Cyclopropylbenzoic acid
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
2-Cyclopropylbenzoic acid3158-74-5Benzoic acid, 2-cyclopropyl-DTXSID00358679RefChem:86651DTXCID70309734811-613-5NEWMOJFYPOJQIR-UHFFFAOYSA-N2-Cyclopropyl-benzoic acidMFCD015509652-CyclopropylbenzoicacidOprea1_639339
Show more names
AKOS BAR-1431SCHEMBL4109572SCHEMBL4443007SCHEMBL301753002-Cyclopropylbenzoic acid 95+%SBB087609AKOS004118669FS-2368
Database identifiers
- CAS
3158-74-5- PubChem CID
- 909948
- DTXSID
DTXSID00358679- EC Number
- 811-613-5
- Nikkaji
- J2.411.193H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 102 · 102-106 °C
- Boiling point
- 282 ℃ · 282℃
- Density
- 1.248 · 1.248
- Flash point
- 131 ℃ · 131℃
- pka
- 4.11 · 4.11±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2916399090 · 2916399090
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
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H315 (75%): 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)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (75%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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