Basic information
- CAS
1197-33-7- Standard SMILES
CC(C#N)=Cc1ccccc1- InChIKey
MSOYJTDJKBEDPF-UHFFFAOYSA-N- Molecular formula
- C10H9N
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.07349929
Overview
See also: 2-Propenenitrile, 2-methyl-3-phenyl- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Methylcinnamonitrile
- IUPAC
- 2-methyl-3-phenylprop-2-enenitrile
- English name
- 2-methylcinnamonitrile
- Molecular formula
- C10H9N
- Molecular weight
- 143.19
Names & synonyms
2-Methylcinnamonitrile2-methyl-3-phenylprop-2-enenitrilealpha-methylcinnamonitrileSCHEMBL679854SCHEMBL384974226157-51-7α-Methylbenzeneacrylonitrile2-Methyl-3-phenylpropenenitrile2-methyl-3-phenyl-2-propenenitril2-methyl-3-phenyl-2-Propenenitrile2-Propenenitrile, 2-methyl-3-phenyl-(Z)-2-methyl-3-phenylprop-2-enenitrile
Database identifiers
- CAS
1197-33-7- PubChem CID
- 70971
- DTXSID
DTXSID1061607
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 14 Torr)
- Density
- 1.013 g/cm3 · 1.013 g/cm3
- Odor
- spicy
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.427 · 2.427 (est)
- EPA Substance Registry System
- 2 · 2-Propenenitrile, 2-methyl-3-phenyl- (1197-33-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Suppliers1 total
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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