Diisobutyl terephthalate
Basic information
- CAS
18699-48-4- Standard SMILES
CC(C)COC(=O)c1ccc(C(=O)OCC(C)C)cc1- InChIKey
LQKWPGAPADIOSS-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- Diisobutyl terephthalate
- IUPAC
- bis(2-methylpropyl) benzene-1,4-dicarboxylate
- English name
- diisobutyl terephthalate
- Molecular formula
- C16H22O4
- Molecular weight
- 278.34
Names & synonyms
Diisobutyl terephthalateTEREPHTHALIC ACID, DIISOBUTYL ESTEREINECS 242-512-9BRN 2467978DTXSID601719624-09-00-03305 (Beilstein Handbook Reference)RefChem:134037DTXCID4094453242-512-9LQKWPGAPADIOSS-UHFFFAOYSA-N18699-48-4bis(2-methylpropyl) benzene-1,4-dicarboxylate
Show more names
1,4-Benzenedicarboxylic acid, bis(2-methylpropyl) esterMFCD016827191,4-Benzenedicarboxylicacid, 1,4-bis(2-methylpropyl) esterterephthalic acid diisobutyl esterdiisobutyl benzene-1,4-dicarboxylatediisobutylterephthalateDiisobutyl p-phthalateSCHEMBL110051
Database identifiers
- CAS
18699-48-4- PubChem CID
- 29218
- DTXSID
DTXSID60171962- EC Number
- 242-512-9
- Nikkaji
- J61.327D
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
PlasticizersPlasticizer
Physicochemical properties
- Melting point
- 55 °C · 55°C
- Boiling point
- 341.16 °C · 341.16°C (rough estimate)
- Density
- 1.0542 · 1.0542 (rough estimate)
- refractive index
- 1.435 · 1.4350 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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