1,1'-Oxybis-2-propanol dibenzoate
Basic information
- CAS
27138-31-4- Standard SMILES
CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1- InChIKey
IZYUWBATGXUSIK-UHFFFAOYSA-N- Molecular formula
- C20H22O5
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1467238
Names & identifiers
- Preferred name
- 1,1'-Oxybis-2-propanol dibenzoate
- IUPAC
- 1-(2-benzoyloxypropoxy)propan-2-yl benzoate
- English name
- 1,1'-dimethyl-2,2'-oxydiethyl dibenzoate
- Molecular formula
- C20H22O5
- Molecular weight
- 342.39
Names & synonyms
94-03-11,1'-Oxybis-2-propanol dibenzoate1,1'-Dimethyl-2,2'-oxydiethyl dibenzoateUNII-9QQI0RSO3H9QQI0RSO3HEINECS 202-296-92-Propanol, 1,1'-oxybis-, dibenzoate1,1'-OXYBIS(2-PROPANOL) DIBENZOATE2-PROPANOL, 1,1'-OXYDI-, DIBENZOATEDI(1,2-PROPYLENE GLYCOL) DIBENZOATE, TAIL TO TAIL-RefChem:19663227138-31-4
Show more names
1,1'-Oxybis(2-propanol)dibenzoate2-Propanol, 1,1'-oxybis-, dibenzoate (9CI)1,1'-Dimethyl[2,2'-oxybisethanol]dibenzoateBenzoic acid 2-[2-(benzoyloxy)propoxy]-1-methylethyl ester
Oxydipropyl dibenzoateOxybis(propane-1,2-diyl) dibenzoate1-(2-benzoyloxypropoxy)propan-2-yl benzoateDTXSID60279212-Propanol, 1,1a(2)-oxybis-, dibenzoateDTXCID507921CAS-27138-31-4SCHEMBL1255193
Database identifiers
- CAS
27138-31-4、94-03-1- PubChem CID
- 101560
- DTXSID
DTXSID401043495- ChEMBL
CHEMBL1877406- UNII
- 9QQI0RSO3H
- EC Number
- 202-296-9、248-258-5
- Nikkaji
- J155.941I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Polymers
Plastics -> N.a.
Plastics -> Plasticisers
CosmeticsEmollient
PlasticizersPlasticizer
Vapor Pressure0.00000046 [mmHg]
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Large Crystals; Liquid
Viscous straw-colored liquid with a faint odor; [CHRIS] Colorless liquid with a mild ester odor; [EPA ChAMP: Submissions - Robust Summaries]
Physicochemical properties
- FDA UNII
- 9 QQI0RSO3H · 9QQI0RSO3H
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 36.3% (354 of 974) of reports.
H411 (16%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 974 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 2.6% (1 of 38) of reports.
H412 (97.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory Information
Chemical: Propanol, oxybis-, dibenzoate
Propanol, oxybis-, dibenzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanol, oxybis-, dibenzoate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Oxydipropyl dibenzoate (EC: 248-258-5)
Propanol, oxybis-, dibenzoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanol, oxybis-, dibenzoate: Human health tier I assessment
Hazards Summary
May cause smarting and reddening of skin if spilled and allowed to remain on clothes; High vapor concentrations may cause mild smarting of eyes and respiratory system; [CHRIS] Not a skin or eye irritant in rabbits; No evidence of skin sensitization in guinea pigs; Reversible histopathological changes of the liver observed in 13-week oral study of rats at >1,750 mg/kg; No adverse effects noted in 90-day study of dogs at 1,000 ppm in the diet; Low frequency of developmental toxicity (increased cervical ribs) observed in rats at doses not maternally toxic; No significant adverse reproductive effects observed in 2-generation study of rats at doses up to 10,000 ppm dietary; [EPA ChAMP: Submissions - Robust Summaries] May cause irritation; [Sigma-Aldrich MSDS]
EPA Safer ChemicalChemical: Dipropylene glycol dibenzoate
Hazard Classes and Categories
Aquatic Chronic 2 (16%)
Aquatic Chronic 3 (97.4%)
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Chemistry & industry
Uses & manufacturing
Uses
Used as a solvator for PVC, plasticizer in elastomers, in vinyl flooring, adhesives, latex caulks and sealants, color concentrates for PVC, and castable polyurethanes; [EPA ChAMP: Submissions - Robust Summaries] Used to formulate adhesives, sealants, lubricants, plasticizers, coatings, and inks, to make fine and large scale chemicals, and as a plasticizer for PVC and carrier for agrochemicals; [ExPub: ECHA REACH Registrations] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Painting (Solvents) [Category: Paint]
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesEmulsifier
Industry UsesAdhesion/cohesion promoter
Household ProductsInformation on 60 consumer products that contain Dipropylene glycol dibenzoate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Emollients;Skin Conditioning Agents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Plastics -> Polymer Type -> N.a.
Plastics -> Plasticisers
Cosmetics -> Emollient
General Manufacturing Information
Plastics Product Manufacturing
Propanol, oxybis-, dibenzoate: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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