Basic information
- CAS
67879-60-1- Standard SMILES
CC1COC(C(C)C)O1- InChIKey
NWXXKKDLGZLEGH-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Overview
Cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane is a dioxolane.
Names & identifiers
- Preferred name
- 4-Methyl-2-(1-methylethyl)-1,3-dioxolane
- IUPAC
- 4-methyl-2-propan-2-yl-1,3-dioxolane
- English name
- 2-isopropyl-4-methyl-1,3-dioxolane
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
4-Methyl-2-(1-methylethyl)-1,3-dioxolaneRefChem:525031Isobutyraldehyde, propylene glycol acetal4-methyl-2-propan-2-yl-1,3-dioxolaneiso-Butyl aldehyde propylene glycol acetal 2cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolanecis-2-Isopropyl-4-methyl-1,3-dioxolane1,3-Dioxolane, 4-methyl-2-(1-methylethyl), cis1,3-Dioxolane, 4-methyl-2-(1-methylethyl), transUNII-5762LU30BDSCHEMBL3506544SCHEMBL17845051
Show more names
Isobutyraldehyde,propyleneglycolacetal1,3-Dioxolane, 4-methyl-2-(1-methylethyl)-
CHEBI:1799931, 4-methyl-2-(1-methylethyl)-NSC139443AKOS0062756002-Isopropyl-4-methyl-1,3-dioxolane #DB-164456iso-Butyl aldehyde propylene glycol acetal 1NS00053283
Database identifiers
- CAS
67879-60-1- PubChem CID
- 98461
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.9
Experimental & physicochemical properties
Density0.903-0.909
Solubility
Insoluble in water; soluble in organic solvents
Soluble (in ethanol)
Boiling Point142-143 °C
Refractive Index1.407-1.412
Physical DescriptionClear, colourless liquid; Penetrating, winey aroma
Physicochemical properties
- FEMA
- 4287 · 4287 | CIS- AND TRANS-2-ISOPROPYL-4-METHYL-1,3-DIOXOLANE
- Odor
- winey
- Odor Type
- wine
- JECFA Number
- 1748 · 1748
- LogP
- 1.14 · 1.14
- Substances Added to Food (formerly EAFUS)
- -2 · CIS- AND TRANS-2-ISOPROPYL-4-METHYL-1,3-DIOXOLANE
- FDA UNII
- 5762 LU30BD · 5762LU30BD
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)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
OccurrenceNot reported found in natu
Upstream & downstream products
Upstream raw materials
Suppliers5 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
BOC Sciences[email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
Additional notes
DefinitionChEBI: Cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane is a dioxolane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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