Description

4-tert-Butylbenzyl alcohol (CAS No. 877-65-6) is a high-purity aromatic alcohol with the molecular formula C₁₁H₁₆O and IUPAC name (4-tert-butylphenyl)methanol. This compound is a versatile intermediate in organic synthesis, characterized by its clear to pale-yellow appearance and mild aromatic odor. It is commonly supplied as a crystalline solid or liquid, with a purity of ≥98% (GC), making it ideal for research and industrial applications. Suitable for use in pharmaceuticals, fragrances, and specialty chemical synthesis, this product is rigorously tested for consistency and quality. Store in a cool, dry place away from oxidizing agents to ensure stability.

Properties

• CAS Number: 877-65-6
• Complexity: 126
• IUPAC Name: (4-tert-butylphenyl)methanol
• InChI: InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
• InChI Key: FVEINXLJOJPHLH-UHFFFAOYSA-N
• Exact Mass: 164.120115130
• Molecular Formula: C11H16O
• Molecular Weight: 164.24
• SMILES: CC(C)(C)C1=CC=C(C=C1)CO
• Topological: 20.2
• Monoisotopic Mass: 164.120115130
• Synonyms: 4-TERT-BUTYLBENZYL ALCOHOL, 877-65-6, Benzenemethanol, 4-(1,1-dimethylethyl)-, T4Q3YX9P4N, 4(t-Butyl)benzylalcohol, DTXSID5061249, DTXCID6048595, 212-894-1, fveinxljojphlh-uhfffaoysa-n, inchi=1/c11h16o/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12h,8h2,1-3h, (4-(tert-Butyl)phenyl)methanol, (4-tert-Butylphenyl)methanol, 4-t-butylbenzyl alcohol, p-tert-Butylbenzyl alcohol, 4-(1,1-Dimethylethyl)benzenemethanol, MFCD00004662, 4-(tert-butyl)benzyl alcohol, 4-t-butylbenzylalcohol, EINECS 212-894-1, AI3-21419, UNII-T4Q3YX9P4N, 4-(tert-Buyl)benzyl alcohol, SCHEMBL113722, 4-(tert-butyl)-benzyl alcohol, SCHEMBL1006929, SCHEMBL5426034, (4-tert-Butylphenyl)methanol #, SCHEMBL11126092, CHEBI:167335, 4-tert-Butylbenzyl alcohol, 98%, STR01483, [4-(tert-butyl)phenyl]methan-1-ol, AKOS000121287, CS-W014310, FB67536, SY032897, DB-011387, B1761, NS00039220, ST50406680, EN300-21330, H10785

Application

4-tert-Butylbenzyl alcohol is widely used as a key intermediate in the synthesis of fragrances, pharmaceuticals, and liquid crystals. Its sterically hindered tert-butyl group enhances stability, making it valuable in the production of UV absorbers and antioxidants. Researchers also employ it in coupling reactions and as a precursor for chiral auxiliaries in asymmetric synthesis.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• 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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.