Basic information
- CAS
20109-39-1- Standard SMILES
CC(COC(=O)c1ccccc1)OCC(C)OC(=O)c1ccccc1- InChIKey
LXODQLXKQIJVNK-UHFFFAOYSA-N- Molecular formula
- C20H22O5
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1467238
Names & identifiers
- Preferred name
- 2-(2-(Benzoyloxy)propoxy)-1-propanol 1-benzoate
- IUPAC
- 2-(2-benzoyloxypropoxy)propyl benzoate
- English name
- 2-[2-(benzoyloxy)propoxy]propyl benzoate
- Molecular formula
- C20H22O5
- Molecular weight
- 342.39
Names & synonyms
1-Propanol, 2-[2-(benzoyloxy)propoxy]-, benzoate2-[2-(Benzoyloxy)propoxy]propyl benzoateKY5QZY215I2-(2-(Benzoyloxy)propoxy)-1-propanol 1-benzoate2-(2-(Benzoyloxy)propoxy)propyl benzoateEINECS 243-517-91-Propanol, 2-(2-(benzoyloxy)propoxy)-, benzoate1-Propanol, 2-(2-(benzoyloxy)propoxy)-, 1-benzoateDTXSID408649211-Propanol, 2-[2-(benzoyloxy)propoxy]-, 1-benzoate2-(2-(BENZOYLOXY)PROPOXY)-1-PROPANOL BENZOATEDI(1,2-PROPYLENE GLYCOL) DIBENZOATE, HEAD TO TAIL-
Show more names
1,2'-Dimethyl[2,2'-oxybisethanol]dibenzoate2,5-Dimethyl-3-oxapentane-1,5-diol dibenzoateBisbenzoic acid 1,4-dimethyl-3-oxapentane-1,5-diyl esterBenzoic acid 2-[2-(benzoyloxy)-1-methylethoxy]-1-methylethyl ester
RefChem:453069DTXCID508133841Propanol, 2(2(benzoyloxy)propoxy), benzoate1Propanol, 2(2(benzoyloxy)propoxy), 1benzoate1-Propanol, 2-2-(benzoyloxy)propoxy-, benzoate20109-39-11-((1-(Benzoyloxy)propan-2-yl)oxy)propan-2-yl benzoateDipropyleneglycol dibenzoate
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
- 410
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
PlasticizersPlasticizer
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Collision Cross Section186.32 Ų [M+Na]+
Physicochemical properties
- Boiling point
- 415.9 · 415.9±20.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- FDA UNII
- 5 QZY215I · KY5QZY215I
- EPA Substance Registry System
- 1 · 1-Propanol, 2-[2-(benzoyloxy)propoxy]-, benzoate (20109-39-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Propanol, 2-[2-(benzoyloxy)propoxy]-, benzoate
1-Propanol, 2-2-(benzoyloxy)propoxy-, benzoate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySee Propyl gallate.
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain 1-Propanol, 2-(2-(benzoyloxy)propoxy)-, 1-benzoate in the following categories is provided:
General Manufacturing Information1-Propanol, 2-[2-(benzoyloxy)propoxy]-, 1-benzoate: ACTIVE
Suppliers2 total
上海马氏化学科技有限公司19916721580 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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