CAS 3805-10-5 2-Methyl-2-phenylpropanal (HCID 283879)

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Basic information

CAS: 3805-10-5
Standard SMILES: CC(C)(C=O)c1ccccc1
InChIKey: RJOWHRLIQNKYKW-UHFFFAOYSA-N
Molecular formula: C10H12O
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.088815

Names & identifiers

Preferred name: 2-Methyl-2-phenylpropanal
IUPAC: 2-methyl-2-phenylpropanal
English name: 2-methyl-2-phenylpropanal
Molecular formula: C10H12O
Molecular weight: 148.2

Names & synonyms

2-Methyl-2-phenylpropanalDTXSID70300822RefChem:475192DTXCID80251957824-777-83805-10-5MFCD120318362-Methyl-2-phenyl-propanalBenzeneacetaldehyde, a,a-dimethyl-NSC139130PhenyldimethylacetaldehydSCHEMBL43182

Show more names

Benzeneacetaldehyde, α,α-dimethyl-

SCHEMBL567342-Methyl-2-phenylpropanal #SCHEMBL276351152-methyl-2-phenyl-propionaldehydeAKOS012321794AT22663NSC-139130Benzeneacetaldehyde, alpha,alpha-dimethyl-

Database identifiers

CAS: 3805-10-5
PubChem CID: 283879
DTXSID: DTXSID70300822
EC Number: 824-777-8
Nikkaji: J846.655F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Physicochemical properties

Boiling point: 215 · 215-218 °C
Density: 0.965 · 0.965±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501