2-Benzyl-4-methyl-1,3-dioxolane
Basic information
- CAS
5468-05-3- Standard SMILES
CC1COC(Cc2ccccc2)O1- InChIKey
HVTGPXYNYDWJHK-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Overview
See also: 4-Methyl-2-(phenylmethyl)-1,3-dioxolane (annotation moved to).
Names & identifiers
- Preferred name
- 2-Benzyl-4-methyl-1,3-dioxolane
- IUPAC
- 2-benzyl-4-methyl-1,3-dioxolane
- English name
- 2-benzyl-4-methyl-1,3-dioxolane
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2-Benzyl-4-methyl-1,3-dioxolane1,3-Dioxolane, 4-methyl-2-(phenylmethyl)-4-Methyl-2-benzyl-1,3-dioxolaneU5F4U3WMGDPhenylacetaldehyde propyleneglycol acetalPhenylacetaldehyde propylene glycol acetalNSC-25477NSC25477UNII-U5F4U3WMGDSCHEMBL6907113FEMA NO. 4629DTXSID70863548
Show more names
(2S,4R)-2-benzyl-4-methyl-1,3-dioxolane
HVTGPXYNYDWJHK-UHFFFAOYSA-N1, 4-methyl-2-(phenylmethyl)-EINECS 226-783-0NSC 25477DB-279056NS00044602H42106F575903
Database identifiers
- CAS
5468-05-3- PubChem CID
- 95633
- DTXSID
DTXSID70863548- UNII
- U5F4U3WMGD
- Nikkaji
- J210.540C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 253.9 · 253.9±15.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- FEMA
- 4629 · 4629 | PHENYLACETALDEHYDE PROPYLENEGLYCOL ACETAL
- LogP
- 1.95 · 1.95
- Substances Added to Food (formerly EAFUS)
- PHENYLACETALDEHYDE PROPYLENEGLYCOL ACETAL
- FDA UNII
- 5 F4U3WMGD · U5F4U3WMGD
- EPA Substance Registry System
- 1 · 1,3-Dioxolane, 4-methyl-2-(phenylmethyl)- (5468-05-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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