Basic information
- CAS
981-40-8- Standard SMILES
CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
ULGAVXUJJBOWOD-UHFFFAOYSA-N- Molecular formula
- C22H23O4P
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.13339621
Names & identifiers
- Preferred name
- p-tert-Butylphenyl diphenyl phosphate
- IUPAC
- (4-tert-butylphenyl) diphenyl phosphate
- English name
- 1-diphenoxyphosphoryloxy-4-tert-butyl-benzene
- Molecular formula
- C22H23O4P
- Molecular weight
- 382.39
Names & synonyms
p-tert-Butylphenyl diphenyl phosphatep-t-butylphenyl diphenyl phosphateDiphenyl p-tert-butylphenyl phosphateNSC 2885p-tert-Butylphenyl diphenylphosphateUNII-095BM86XTFBRN 3436583095BM86XTFAI3-18184NSC-2885Phosphoric acid, 4-(1,1-dimethylethyl)phenyl diphenyl esterPhosphoric acid, p-tert-butylphenyl diphenyl ester
Show more names
Phosphen 1p-tert-butylphenyl phosphatePhosphoric acid 4-tert-butylphenyl=diphenyl
Phosphoric acid, (p-tert-butylphenyl) diphenyl esterDTXSID102740384-06-00-03309 (Beilstein Handbook Reference)DIPHENYL 4-TERT-BUTYLPHENYL PHOSPHATEPHENOL, P-TERT-BUTYL-, DIPHENYL PHOSPHATERefChem:169385DTXCID204701981-40-8
Database identifiers
- CAS
981-40-8- PubChem CID
- 70425
- DTXSID
DTXSID10274038- ChEMBL
CHEMBL3183261- UNII
- 095BM86XTF
- EC Number
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
LogP5.12
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 433.1 · 433.1±24.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- color
- White to Off-White
- Henry's Law Constant
- 4.5 · 4.5×101 mol/(m3Pa) at 25℃, HSDB (2015)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 95 BM86XTF · 095BM86XTF
- EPA Substance Registry System
- Diphenyl p-tert-butylphenyl phosphate (981-40-8)
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 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Phosphoric acid, 4-(1,1-dimethylethyl)phenyl diphenyl ester
Hazard Traits - Hazard Trait Undefined
Other Safety InformationIMAP assessments - Butylated triaryl phosphate esters: Human health tier II assessment
Hazard Classes and Categories
Not Classified
Specific target organ toxicity (repeated exposure) - category 2
Chemistry & industry
Applications
Usesp-t-Butylphenyl Diphenyl Phosphate is a compound with potential application to fire retardants, plasticizers and oils, due to its chemical composition.
Suppliers9 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
山东鑫牧源化工科技有限公司19105383610 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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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