Basic information
- CAS
1009-62-7- Standard SMILES
CC(C)(C=O)Cc1ccccc1- InChIKey
KYUNECWPKRYPJM-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- Benzenepropanal, alpha,alpha-dimethyl-
- IUPAC
- 2,2-dimethyl-3-phenylpropanal
- English name
- 2,2-Dimethyl-3-phenylpropionaldehyde
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
1009-62-72,2-Dimethyl-3-phenylpropionaldehydeBenzenepropanal, alpha,alpha-dimethyl-AI3-28154Benzenepropanal, .alpha.,.alpha.-dimethyl-EINECS 213-771-5DTXSID0061408RefChem:563564DTXCID1032565213-771-52,2-dimethyl-3-phenylpropanal2,2-dimethyl-3-phenyl-propanal
Show more names
Nor MajantalBenzenepropanal, α,α-dimethyl-Benzenepropanal, a,a-diMethyl-3-Phenyl-2,2-dimethyl-1-propanone2,2-Dimethyl-3-phenylpropionaldehyde USP/EP/BP
SCHEMBL96456SCHEMBL964572,2-dimethyl-3-phenyl-propionaldehydeAKOS015889555NS00012331EN300-76570F2147-6116Z1188488760
Database identifiers
- CAS
1009-62-7- PubChem CID
- 70520
- DTXSID
DTXSID0061408- EC Number
- 213-771-5
- Nikkaji
- J217.125B
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 143
Physicochemical properties
- Odor
- 100 % · at 100.00 %. fresh marine
- Odor Type
- ocean
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.545 · 2.545 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Benzenepropanal, .alpha.,.alpha.-dimethyl- (1009-62-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 99.2% (236 of 238) of all reports.
Not Classified
Aggregated GHS information provided per 238 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenepropanal, .alpha.,.alpha.-dimethyl-
Benzenepropanal, .alpha.,.alpha.-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .alpha.,.alpha.-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,2-dimethyl-3-phenylpropionaldehyde (EC: 213-771-5)
Benzenepropanal, alpha,alpha-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Phenyl propanaldehydes
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
U.S. Production2022: <50,000 lb
Consumer UsesDeodorizer
Industry UsesDeodorizer
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenepropanal, .alpha.,.alpha.-dimethyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
7 records
Compound notes
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