4-[(4-Tert-Butylphenoxy)methyl]benzoic acid - CAS 132991-24-3
Catalog: |
BB044645 |
Product Name: |
4-[(4-Tert-Butylphenoxy)methyl]benzoic acid |
CAS: |
132991-24-3 |
Synonyms: |
4-(4-tert-Butyl-phenoxymethyl)-benzoic acid; Benzoic acid, 4-(4-tert-butylphenoxymethyl)-; Benzoic acid, 4-[[4-(1,1-dimethylethyl)phenoxy]methyl]- |
IUPAC Name: | 4-[(4-tert-butylphenoxy)methyl]benzoic acid |
Description: | 4-[(4-Tert-Butylphenoxy)methyl]benzoic acid (CAS# 132991-24-3 ) is a useful research chemical. |
Molecular Weight: | 284.35 |
Molecular Formula: | C18H20O3 |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C18H20O3/c1-18(2,3)15-8-10-16(11-9-15)21-12-13-4-6-14(7-5-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20) |
InChI Key: | JVJSNLQHNQFVGD-UHFFFAOYSA-N |
Boiling Point: | 438.6±38.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.1±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.1412445 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.1412445 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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