Basic information
- CAS
831-97-0- Standard SMILES
CC(C=O)=Cc1ccc(C(C)C)cc1- InChIKey
YCAMGBSPHGCQDC-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Overview
See also: 2-Propenal, 2-methyl-3-(4-(1-methylethyl)phenyl)- (annotation moved to).
Names & identifiers
- Preferred name
- 4-Isopropyl-alpha-methyl cinnamaldehyde
- IUPAC
- 2-methyl-3-(4-propan-2-ylphenyl)prop-2-enal
- English name
- 4-isopropyl-alpha-methylcinnamaldehyde
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
831-97-0SCHEMBL3686385AKOS0174071374-isopropyl-alpha-methyl cinnamaldehyde2-methyl-3-(4-i-propylphenyl)prop-2-enal3-(4-isopropylphenyl)-2-methyl-prop-2-enal2-Methyl-3-(4-isopropylphenyl)propenal4-isopropyl-alpha-methylcinnamaldehyde2-Methyl-3-[4-(1-methylethyl)phenyl]propenal(Z)-3-(4-isopropylphenyl)-2-methylacrylaldehyde2-methyl-3-(4-(1-methylethyl)phenyl)-2-Propenal2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]-
Database identifiers
- CAS
831-97-0- PubChem CID
- 70024
- DTXSID
DTXSID2061197- EC Number
- 212-613-2
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.014 · 4.014 (est)
- EPA Substance Registry System
- 2 · 2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]- (831-97-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 98 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
BOC Sciences[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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