3D Mol Similar

Oxydipropyl dibenzoate

: Iupac Name：1-(2-benzoyloxypropoxy)propan-2-yl benzoate; CAS No.: 27138-31-4; Molecular Weight：342.38568; Modify Date.: 2024-03-31 18:32; Introduction:
Oxydipropyl dibenzoate, with the chemical formula C17H18O5 and CAS registry number 27138-31-4, is a compound known for its use as a plasticizer in various industries. This colorless liquid, also referred to as Dipropylene glycol dibenzoate, is characterized by its propyl and benzoate functional groups. It is commonly used to improve the flexibility and durability of polymers, such as PVC, and is often found in products such as adhesives, coatings, and sealants. Oxydipropyl dibenzoate is considered to be a low-toxicity compound, with no significant health hazards associated with its use. However, as with any chemical, proper handling and storage precautions should be followed to ensure safe use.
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1. Names and Identifiers

: 1.1 Name; Oxydipropyl dibenzoate; 1.2 Synonyms; (2R)-1-{[(2S)-1-(Benzoyloxy)-2-propanyl]oxy}-2-propanyl benzoate (2S)-1-{[(2S)-1-(Benzoyloxy)-2-propanyl]oxy}-2-propanyl benzoate 1-((1-(Benzoyloxy)propan-2-yl)oxy)propan-2-yl benzoate 1-Propanol, 1,1'-oxybis-, dibenzoate 1-Propanol, 2-[(2R)-2-(benzoyloxy)propoxy]-, benzoate, (2S)- 1-Propanol, 2-[(2S)-2-(benzoyloxy)propoxy]-, benzoate, (2S)- 248-258-5 988SG ADK Cizer PN 6120 Benzoflex 9088 Benzoflex 9-88 Benzoflex 988SG Benzoflex 9-88SG Benzoflex 9-98 Di(propylene glycol) dibenzoate DIMETHYLOLUREA,TECH DIPROPANEDIOL DIBENZOATE Dipropylene glycol dibenzoate Dipropylene glycol, dibenzoate Dipropylenglycoldibenzoate DPG dibenzoate DPGDB EINECS 248-258-5 Finsolv PG 22 K-Flex DP LS-E 97 MFCD00046063 oxybis-propanodibenzoate Oxybispropanol dibenzoate Oxydi-1,1-propanediyl dibenzoate Oxydipropane-1,1-diyl dibenzoate OXYDIPROPYLENEDIBENZOATE PN 6120 Polycizer DP 500 PPG 2 dibenzoate Propanol, oxybis-, dibenzoate Propanol,oxybis-,dibenzoate Santicizer ER 9100 Synegis 9100 UNII-6OA5ZDY41O; View all

1.3 CAS No.: 27138-31-4

1.4 CID: 101560

1.5 EINECS(EC#): 248-258-5

1.6 Molecular Formula: C20H22O5 (isomer)

1.7 Inchi: InChI=1S/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3

1.8 InChIkey: IZYUWBATGXUSIK-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

1.10 Isomers Smiles: CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

2. Properties

2.1 Density: 1.144

2.1 Boiling point: 464.198 °C at 760 mmHg

2.1 Refractive index: n20/D 1.528(lit.)

2.1 Flash Point: 202.303 °C

2.1 Precise Quality: 342.14700

2.1 PSA: 61.83000

2.1 logP: 3.49400

2.1 Appearance: COA

2.2 Stability: Stable. Combustible. Incompatible with strong oxidizing agents.

3. Safety and Handling

3.1 Hazard Codes: N

3.1 Risk Statements: 51/53

3.1 Safety Statements: 61

3.1 Hazard Declaration: H412

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P273

3.1 WGK Germany: 2

3.1 Safety: WGK Germany: 2

3.2 Specification: ?Propanol, oxybis-,dibenzoate (CAS NO.27138-31-4), its Synonyms are Dipropylene glycol dibenzoate ; PPG-2 Dibenzoate ; Polypropylene glycol (2) dibenzoate ; Finsolv PG 22 ; Oxybispropanol dibenzoate .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	H412 Harmful to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	none
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight: 342.38568g/mol
Molecular Formula: C₂₀H₂₂O₅
Compound Is Canonicalized: True
XLogP3-AA: 4
Exact Mass: 342.14672380
Monoisotopic Mass: 342.14672380
Complexity: 372
Rotatable Bond Count: 10
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 61.8
Heavy Atom Count: 25
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAAAAAADBSgmAIyCIAABACIAiDSCAACAAAkAAAIiAEACMgJJjKANRiCMQAkwAEKqYeIyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Question & Answer

What is Oxydipropyl dibenzoate and how is it used? Sep 24 2024
Overview Oxydipropyl dibenzoate, also known as dipropylene glycol dibenzoate, has a molecular formula of C20H22O5 with a molecular weight of 342.3857. With the rapid development of the plastic industr..

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di(propylene glycol) dibenzoate