Benzene, (1,1-dimethoxyethyl)-
Basic information
- CAS
4316-35-2- Standard SMILES
COC(C)(OC)c1ccccc1- InChIKey
XKSUVRWJZCEYQQ-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- Benzene, (1,1-dimethoxyethyl)-
- IUPAC
- 1,1-dimethoxyethylbenzene
- English name
- (1,1-Dimethoxyethyl)benzene
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
(1,1-Dimethoxyethyl)benzeneAcetophenone dimethyl acetalBenzene, (1,1-dimethoxyethyl)-EINECS 224-334-336S57738FADTXSID90634071,1-DIMETHOXY-1-PHENYLETHANEETHANONE, 1-PHENYL-, DIMETHYL ACETALRefChem:117257DTXCID20402384316-35-21,1-dimethoxyethylbenzene
Show more names
(1,1-dimethoxyethyl)-benzen1-Phenyl-1,1-dimethoxyethane(1,1-Dimethoxyethyl)benzene, 97% colorless liquid
dimethoxyphenylethaneacetophenone dimethyl ketalSCHEMBL204375SCHEMBL2154443SCHEMBL7701958SCHEMBL8775256(1,1-Dimethoxyethyl)benzene, 97%MFCD00075617
Database identifiers
- CAS
4316-35-2- PubChem CID
- 78008
- DTXSID
DTXSID9063407- UNII
- 36S57738FA
- EC Number
- 224-334-3
- Nikkaji
- J205.700J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 58 · 58-60 °C
- Boiling point
- 95 · 95-98 °C/12 mmHg (lit.)
- Density
- 1.008 g/mL · 1.008 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.49(lit.)
- Flash point
- 152 °F · 152 °F
- form
- Liquid
- color
- Colorless
- InChI
- 1S/C10H14O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
- InChIKey
- XKSUVRWJZCEYQQ-UHFFFAOYSA-N
- SMILES
- COC(C)(OC)c1ccccc1
- FDA UNII
- 36 S57738FA · 36S57738FA
- EPA Substance Registry System
- Acetophenone dimethyl acetal (4316-35-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzene, (1,1-dimethoxyethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (1,1-dimethoxyethyl)-: INACTIVE
Applications
Uses(1,1-Dimethoxyethyl)benzene is reported to participate in the bismuth triflate catalyzed deprotection of acetals.
General Description(1,1-Dimethoxyethyl)benzene is reported to participate in the bismuth triflate catalyzed deprotection of acetals.
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Related reactions
1 records
Compound notes
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