Basic information
- CAS
32655-80-4- Standard SMILES
C/C(=C\c1ccc(C)cc1)C(=O)O- InChIKey
OPOOYZXNEUXLBZ-VQHVLOKHSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- (2E)-2-methyl-3-(4-methylphenyl)prop-2-enoic acid
- IUPAC
- (E)-2-methyl-3-(4-methylphenyl)prop-2-enoic acid
Names & synonyms
(2E)-2-methyl-3-(4-methylphenyl)prop-2-enoic acidRefChem:396344995-422-32-methyl-3-(4-methylphenyl)prop-2-enoic Acid25860-59-72-Methyl-3-(p-tolyl)acrylic acid32655-80-42-Methyl-3-(4-methylphenyl)-2-PropenoicacidSCHEMBL1920235AKOS006272204CS-03440672-methyl-3-(4-methylphenyl)prop-2-enoicAcid
Show more names
EN300-128206EN300-7354238Z1623872015
Database identifiers
- CAS
32655-80-4- PubChem CID
- 5894331
- EC Number
- 995-422-3
- Nikkaji
- J1.070.459F、J2.352.627A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…