Basic information
- CAS
5694-82-6- Standard SMILES
CC(C)=CCCC(C)=CC1OCC(CO)O1- InChIKey
PARQKBHRABMRKU-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- 1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-
- IUPAC
- [2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolan-4-yl]methanol
- English name
- 2-(2,6-dimethyl-1,5-heptadienyl)-1,3-dioxolane-4-methanol
- Molecular formula
- C13H22O3
- Molecular weight
- 226.31198
Names & synonyms
DTXSID008635961,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-RefChem:414939DTXCID808121885694-82-61,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadienyl)-PARQKBHRABMRKU-UHFFFAOYSA-NNS00046096[2-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-dioxolan-4-yl]methanolCITRAL GLYCERYL ACETAL2-(2,6-dimethyl-1,5-heptadienyl)-1,3-dioxolane-4-methanol
Database identifiers
- CAS
5694-82-6- PubChem CID
- 110693
- DTXSID
DTXSID00863596- EC Number
- 227-166-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- FEMA
- 4486 · 4486 | CITRAL GLYCERYL ACETAL
- LogP
- 3 · 3.00
- Substances Added to Food (formerly EAFUS)
- CITRAL GLYCERYL ACETAL
- FDA UNII
- 25 VL87S · SOA25VL87S
- EPA Substance Registry System
- 1 · 1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadienyl)- (5694-82-6)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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