Basic information
- CAS
94-51-9- Standard SMILES
O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1- InChIKey
BYQDGAVOOHIJQS-UHFFFAOYSA-N- Molecular formula
- C20H22O5
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1467238
Overview
Straw-colored viscous liquid with faint aromatic odor. (USCG, 1999)
Names & identifiers
- Preferred name
- 3,3'-Oxybis-1-propanol dibenzoate
- IUPAC
- 3-(3-benzoyloxypropoxy)propyl benzoate
- English name
- Dipropyleneglycol dibenzoate
- Molecular formula
- C20H22O5
- Molecular weight
- 342.39
Names & synonyms
94-51-93,3'-Oxybis(1-propanol) dibenzoate7Q260QET023,3'-oxybis-1-propanol dibenzoateDTXSID20912333DI(1,3-PROPYLENE GLYCOL) DIBENZOATE1-PROPANOL, 3,3'-OXYBIS-, 1,1'-DIBENZOATERefChem:485016DTXCID3013413551-PROPANOL, 3,3'-OXYBIS-, DIBENZOATEOxybis(propane-3,1-diyl) dibenzoate3,3'-Oxydipropyl dibenzoate
Show more names
staramineOXYBISPROPANOL,DIBENZOATEBYQDGAVOOHIJQS-UHFFFAOYSA-NDI13PROPYLENEGLYCOLDIBENZOATE3,3'-Oxybis(1-propanol)dibenzoateOxybis(trimethylene) bis[benzoate]1-Propanol, 3,3-oxybis-, dibenzoate3-[3-(benzoyloxy)propoxy]propyl benzoate
3-(3-benzoyloxypropoxy)propyl benzoate1-Propanol, 3,3'-oxydi-, dibenzoateBenzoflex 9-98K-Flex DPBenzoflex 9-88 SG3,3'-Oxydi-1-propanol, dibenzoateEINECS 202-340-7BRN 2668467
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Density1.13 (USCG, 1999) - Denser than water; will sink
Flash Pointgreater than 300 °F (USCG, 1999)
Boiling Point446 °F at 760 mmHg (USCG, 1999)
Melting Point-22 °F (USCG, 1999)
Physical DescriptionStraw-colored viscous liquid with faint aromatic odor. (USCG, 1999)
Physicochemical properties
- Boiling point
- 437.84 °C · 437.84°C (rough estimate)
- Density
- 1.1636 · 1.1636 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- FDA UNII
- 7 Q260QET02 · 7Q260QET02
- EPA Substance Registry System
- 3 · 3,3'-Oxybis(1-propanol) dibenzoate (94-51-9)
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-Propanol, 3,3'-oxybis-, dibenzoate: 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.
Fire HazardsSpecial Hazards of Combustion Products: When heated to decomposition, it emits acrid smoke. (USCG, 1999)
Health HazardsMay irritate eyes, nose, throat and mucous membrane. May cause coughing and chest discomfort. Prolonged exposure may cause skin irritation. (USCG, 1999)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
An ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFire Extinguishing Agents: Water spray, dry chemical, carbon dioxide, alcohol foam. (USCG, 1999)
First AidINHALATION: Get medical aid. Remove victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Personal Protective Equipment (PPE)
Chemistry & industry
Applications
General DescriptionStraw-colored viscous liquid with faint aromatic odor.
Suppliers5 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
舟山广兴化学有限公司15698059122 15698059122 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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