4-Methylphenyl but-2-enoate
Basic information
- CAS
41873-74-9- Standard SMILES
CC=CC(=O)Oc1ccc(C)cc1- InChIKey
FGJQFRNEXKYBQC-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 4-Methylphenyl but-2-enoate
- IUPAC
- (4-methylphenyl) but-2-enoate
- English name
- Crotonic acid p-cresyl ester
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
4-methylphenyl but-2-enoatep-tolyl but-2-enoateSCHEMBL27464290DTXSID209620302-Butenoic acid, 4-methylphenyl ester, (E)-P-TOLYL CROTONATEP-CRESYL CROTONATEp-TolylCrotonate>-p-Tolyl but-2-enoateCrotonicacidcresylesterp-Tolyl Crotonate(E)-p-Tolyl but-2-enoateP-tolyl (E)-but-2-enoate
Show more names
CROTONIC ACID P-TOLYL ESTER
Database identifiers
- CAS
41873-74-9- PubChem CID
- 550283
- DTXSID
DTXSID20962030
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 158 °C · 158 °C / 24mmHg
- Density
- 1.07 · 1.07
- refractive index
- 1.515 · 1.5150-1.5180
- form
- clear liquid
- color
- Colorless to Light yellow
- LogP
- 2.885 · 2.885 (est)
- CAS DataBase Reference
- 41873 · 41873-74-9
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 4-methylphenyl ester, (E)- (41873-74-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P312+P362+P364-P305+P351+P338+P337+P313-P501
- HS Code
- 2916.19 · 2916.19.5000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916.19.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312-H315-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P312+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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