Basic information
- CAS
10108-80-2- Standard SMILES
CCC(=O)OCC(C)OC(=O)CC- InChIKey
KFNABOVSAPCOCY-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- Propylene glycol dipropionate
- IUPAC
- 2-propanoyloxypropyl propanoate
- English name
- propane-1,2-diyl dipropionate
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
Propylene glycol dipropionate10108-80-2Propyleneglycol dipropionate1,2-Propanediol, dipropanoatePropylene glycol 1,2-dipropionateEINECS 233-298-8UNII-4DZ729T8XWBRN 17759064DZ729T8XWAI3-28581FEMA NO. 44654-02-00-00715 (Beilstein Handbook Reference)
Show more names
2-propanoyloxypropyl propanoate1,2-Propylene glycol dipropionateDipropionic acid 1,2-propanediyl ester
1,2-Propanediol, 1,2-dipropanoate1,2-Propanediol, dipropanoate (9CI)RefChem:176541(+-)-PROPYLENEGLYCOL DIPROPIONATEPROPYLENEGLYCOL DIPROPIONATE, (+-)-233-298-8KFNABOVSAPCOCY-UHFFFAOYSA-NPropane-1,2-diyl dipropionate
Database identifiers
- CAS
10108-80-2- PubChem CID
- 112002
- DTXSID
DTXSID50864210- UNII
- 4DZ729T8XW
- EC Number
- 233-298-8
- Nikkaji
- J106.474F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.009-1.015 (20 °C)
Solubility
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point228-230 °C
Refractive Index1.415-1.421
Physical DescriptionClear colourless liquid; Mild winey-fruity aroma
Physicochemical properties
- FEMA
- 4465 · 4465 | PROPYLENEGLYCOL DIPROPIONATE
- Odor
- winey fruity
- Odor Type
- winey
- JECFA Number
- 1978 · 1978
- LogP
- 1.36 · 1.36
- Substances Added to Food (formerly EAFUS)
- PROPYLENEGLYCOL DIPROPIONATE
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 Information1,2-Propanediol, dipropanoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
UsesPropane-1,2-diyl dipropionate has found some use in perfume compositions and occasionally in flavor compositions. It is rarely offered commercially, but normally manufactured by the interested party for “private” use. The ester may hydrolyze under certain, not necessarily abnormal, circumstances, and it is not very popular among perfumers for that reason. Its mission in perfumes is mostly that of “mellowing” and introducing notes simulating well-aged alcoholic perfume solutions. It is often used in conjunction with Ethyl acetoacetate and similar materials for such purpose.
Suppliers10 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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