Basic information
- CAS
1335-44-0- Standard SMILES
CC(C)c1cccc(CC=O)c1- InChIKey
PLBFBQRBPDVZMR-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- Ar-isopropylphenylacetaldehyde
- IUPAC
- 2-(3-propan-2-ylphenyl)acetaldehyde
- English name
- Benzeneacetaldehyde, 3-(1-methylethyl)- (9CI)
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
ar-Isopropylphenylacetaldehyde1335-44-0Benzeneacetaldehyde, ar-(1-methylethyl)-EINECS 215-634-5RefChem:558499215-634-52-(3-propan-2-ylphenyl)acetaldehyde433229-60-82-[3-(propan-2-yl)phenyl]acetaldehyde[3-(propan-2-yl)phenyl]acetaldehydeHOMO CUMINIC ALDEHYDE 50SCHEMBL453825
Show more names
Benzeneacetaldehyde, 3-(1-methylethyl)- (9CI)
DTXSID90892310PLBFBQRBPDVZMR-UHFFFAOYSA-N3-(1-Methylethyl)benzeneacetaldehydeBenzeneacetaldehyde, 3-(1-methylethyl)-DB-285343NS00011994EN300-1854678
Database identifiers
- CAS
1335-44-0、433229-60-8- PubChem CID
- 74010
- DTXSID
DTXSID90892310- EC Number
- 215-634-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 241.7 · 241.7±9.0 °C(Predicted)
- Density
- 0.956 · 0.956±0.06 g/cm3(Predicted)
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 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneacetaldehyde, ar-(1-methylethyl)-
Benzeneacetaldehyde, ar-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetaldehyde, ar-(1-methylethyl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetaldehyde, ar-(1-methylethyl)-: ACTIVE
Suppliers3 total
上海庞通生物科技有限公司13636417373 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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