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

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

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Catalog Number

ACM140669-1

Product Name

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

Structure

CAS

140-66-9

Category

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)

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

MSDS

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COA

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