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5787-50-8

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Basic Information
CAS No.: 5787-50-8
Name: sodium p-tert-butylphenolate
Article Data: 4
Molecular Structure:
Molecular Structure of 5787-50-8 (sodium p-tert-butylphenolate)
Formula: C10H14 O . Na
Molecular Weight: 172.202
Synonyms: Phenol,4-(1,1-dimethylethyl)-, sodium salt (9CI); Phenol, p-tert-butyl-, sodium salt(8CI); Sodium, (p-tert-butylphenoxy)- (7CI); 4-tert-Butylphenol sodium salt;Sodium 4-tert-butylphenolate; Sodium 4-tert-butylphenoxide; Sodiump-tert-Butylphenolate; Sodium p-tert-butylphenate; Sodiump-tert-butylphenoxide; p-tert-Butylphenol sodium salt
Density: g/cm3
Boiling Point: 233.7°Cat760mmHg
Flash Point: 110.9°C
Safety: A pesticide with unreported toxicity. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 70.14000
LogP: 5.53730
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Chemistry

Product Name: p-tert-Butylphenol sodium salt (CAS NO.5787-50-8)


Molecular Formula: C10H13NaO
Molecular Weight: 172.19939g/mol
Mol File: 5787-50-8.mol
Einecs: 227-318-4
Boiling point: 233.7 °C at 760 mmHg
Flash Point: 110.9 °C
Enthalpy of Vaporization: 48.95 kJ/mol
Vapour Pressure: 0.0361 mmHg at 25°C
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of p-tert-Butylphenol sodium salt (CAS NO.5787-50-8):
  IUPAC Name: sodium 4-tert-butylphenolate
  Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)[O-].[Na+]
  InChI: InChI=1S/C10H14O.Na/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;/q;+1/p-1 
  InChIKey: QDJPHAPWEUQBKS-UHFFFAOYSA-M

Consensus Reports

Reported in EPA TSCA Inventory. EPA FIFRA 1988 pesticide subject to registration or re-registration.

Safety Profile

A pesticide with unreported toxicity. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 p-tert-Butylphenol sodium salt ,its CAS NO. is 5787-50-8,the synonyms is 4-(1,1-Dimethylethyl)phenol sodium salt ; Caswell No. 130G ; EINECS 227-318-4 ; EPA Pesticide Chemical Code 064115 ; Phenol, 4-(1,1-dimethylethyl)-, sodium salt ; Sodium p-tert-butylphenolate .