Basic information
- CAS
293292-51-0- Standard SMILES
CCOC(=O)CC1(C)OCC(C)O1- InChIKey
GSIXJEIRJVOUFB-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Overview
Cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate is a fatty acid ester.
Names & identifiers
- Preferred name
- Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
- IUPAC
- ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
- English name
- Ethyl acetoacetate propylene glycol ketal
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
6290-17-1ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetateEthyl acetoacetate propylene glycol ketalEthyl 2,4-dimethyl-1,3-dioxolane-2-acetate1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl esterDTXSID4047549UNII-087792Q4F6NSC 6547EINECS 228-536-2Acetoacetic acid, ethyl ester, 1,2-propylene ketal293292-51-0087792Q4F6
Show more names
FRAISTONEFraistone(kosher)Astrin strawberry esterETHYL DIMETHYL DIOXOLANE ACETATEEthyl actoacetate propyleneglycol ketalETHYL-2,4-DIMETHYL-1,3-DIOXOLANE-2-ACETATE
DTXCID2027549NSC-6547fruity ketalRefChem:138528FEMA NO. 4294ETHYL 2,4-DIMETHYL-1,3-DIOXOLANE-2-CARBOXYLATE2,4-DIMETHYL-2-((ETHOXYCARBONYL)METHYL)-1,3-DIOXOLANECIS-AND TRANS-ETHYL 2,4-DIMETHYL-1,3-DIOXOLANE-2-ACETATE
Database identifiers
- CAS
293292-51-0、6290-17-1
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (Ethyl 2,4-dimethyldioxolane-2-acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.048-1.054
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point85 °C
Refractive Index1.422-1.432
Physical DescriptionColourless liquid; Soft, fruity notes
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
This chemical does not meet GHS hazard criteria for 99.6% (269 of 270) of all reports.
Not Classified
Aggregated GHS information provided per 270 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate (EC: 228-536-2)
1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- safety_code
- 24/25-23
- Hazard statements
- H227
- REACH Registrations
- Active
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester: ACTIVE
Applications
UsesEthyl acetoacetate propylene glycol ketal is a ketal derivative used in the synthesis of fragrances.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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