P-(Tert-butyl)phenoxymethanol, acetate

Base Information

• Chemical Name: P-(Tert-butyl)phenoxymethanol, acetate
• CAS No.: 54889-98-4
• Molecular Formula: C13H18O3
• Molecular Weight: 222.28
• DSSTox Substance ID: DTXSID40203376
• Nikkaji Number: J102.810C
• Wikidata: Q83076751
• Mol file: 54889-98-4.mol

Synonyms:54889-98-4;P-(TERT-BUTYL)PHENOXYMETHANOL, ACETATE;Methanol, [4-(1,1-dimethylethyl)phenoxy]-, acetate;DTXSID40203376;SAUOVKUFPXZKPY-UHFFFAOYSA-N;(4-tert-Butylphenoxy)methanol acetate;(4-tert-Butylphenoxy)methyl acetate #

Chemical Property of P-(Tert-butyl)phenoxymethanol, acetate

Chemical Property:

• Vapor Pressure: 0.00071mmHg at 25°C
• Boiling Point: 307.8°C at 760 mmHg
• Flash Point: 125.6°C
• PSA: 35.53000
• Density: 1.026g/cm³
• LogP: 2.88350
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCOC1=CC=C(C=C1)C(C)(C)C