Basic information
- CAS
90-87-9- Standard SMILES
COC(OC)C(C)c1ccccc1- InChIKey
UFOUDYPOSJJEDJ-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Overview
2-Phenylpropionaldehyde dimethyl acetal is a member of benzenes.
Names & identifiers
- Preferred name
- 2-Phenylpropionaldehyde dimethyl acetal
- IUPAC
- 1,1-dimethoxypropan-2-ylbenzene
- English name
- 2-phenylpropionaldehyde dimethyl acetal
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
2-Phenylpropionaldehyde dimethyl acetal90-87-9Hydratropic aldehyde dimethyl acetal(1,1-Dimethoxypropan-2-yl)benzene1,1-Dimethoxy-2-phenylpropaneHydratropaldehyde dimethyl acetalHydrotropic aldehyde dimethyl acetal2-Phenylpropanal dimethyl acetal2-Phenylpropanal dimethylacetalHydrotropaldehyde dimethyl acetalFEMA No. 2888BENZENE, (2,2-DIMETHOXY-1-METHYLETHYL)-
Show more names
FEMA 2888FEMA 2888 USP/EP/BP1,1-DIMETHOXY-2-PHENYL PROPANE2-phenylpropanaldimethylacetalhydrotropaldehydedimethylacetal1,1-dimethoxypropan-2-ylbenzeneTIGLIC ALDEHYDE DIMETHYL ACETAL
(2,2-Dimethoxy-1-methylethyl)benzeneHydratropaldehyde, dimethyl acetalDTXSID6047109EINECS 202-022-8NSC 461152-Phenylpropionaldehyde-dimethyl acetalBRN 2091958H41WGL6C12
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Phenylpropionaldehyde dimethyl acetal) -> IFRA transparency List
LogP2.579
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.989-0.994
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether; Insoluble in water
Soluble (in ethanol)
Boiling Point
111.00 to 112.00 °C. @ 12.00 mm Hg
240-241 °C
Refractive Index1.492-1.497
Physical DescriptionColourless to slightly yellow liquid; Strong, warm, spicy aroma reminiscent of walnut
Physicochemical properties
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1625 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, (2,2-dimethoxy-1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-phenylpropionaldehyde-dimethyl acetal (EC: 202-022-8)
Benzene, (2,2-dimethoxy-1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MU6480000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, (2,2-dimethoxy-1-methylethyl)-: ACTIVE
Applications
UsesPrimarily processed for use as a Food and Flavor ingredient. Known for its quality and durability in the industry.
Preparation methods
PreparationBy catalytic hydrogenation of cinnamyl aldehyde dimethyl acetal in the presence of colloidal palladium; or from 2-phenylpropionaldehyde and a methanolic solution of HCl.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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