CAS 140-66-9 4-(1,1,3,3-Tetramethylbutyl)phenol

NAVIGATION

4-(1,1,3,3-Tetramethylbutyl)phenol

PRICE INQUIRY

Catalog Number

ACM140669-1

CAS Number

140-66-9

Product Name

4-(1,1,3,3-Tetramethylbutyl)phenol

Structure

Category

Pressure & Heat Sensitive Recording Materials; Heat & Pressure Sensitive Dyes

Description

Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;Solid

IUPAC Name

4-(2,4,4-trimethylpentan-2-yl)phenol

Molecular Weight

206.32g/mol

Molecular Formula

C14H22O

Canonical SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O

InChI

InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

InChI Key

ISAVYTVYFVQUDY-UHFFFAOYSA-N

Boiling Point

279 °C

Melting Point

84.5 °C;85 °C;84.5°C

Solubility

In water, 5.113 mg/L at 25 °C (est)

Application

4-(1,1,3,3-Tetramethylbutyl)phenol is a white powder utilized as an intermediate in the production processes of various chemicals. It plays a crucial role in the creation of surfactants, synthetic rubber additives, and resins. Additionally, this compound is employed in the manufacturing of alkylphenol ethoxylates. You can primarily find it in detergents, cleaning products, and emulsifiers, while it is also occasionally present in paints, personal care items, pesticides, as well as in the paper, pulp, and textile industries. As an alkylbenzene, 4-(1,1,3,3-Tetramethylbutyl)phenol serves diverse applications in these sectors.

Color/Form

White solid

Complexity

192

Covalently-Bonded Unit Count

EC Number

205-426-2

Exact Mass

206.167065g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 5.25 (est)

MeSH Entry Terms

4-tert-octylphenol;4-tertiary-octylphenol;p-(1,1,3,3-tetramethylbutyl)-phenol;p-tert-octylphenol

Monoisotopic Mass

206.167065g/mol

NSC Number

7248;5427

Other Experimental

Density: 0.89 g/mL at 90 °C;Liquid Molar Volume = 0.2232 cu m/kmol, determined at the triple point;Henry's Law constant = 6.89X10-6 atm-cu m/mol at 25 °C (est);Hydroxy radical rate constant = 4.24X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

IOY9FVU3J3

Vapor Pressure

4.78e-04 mmHg;4.7X10-3 kPa at 74 °C /4.8X10-4 mm Hg at 25 °C/

XLogP3

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