2-tert-Butyl-4-methylphenol

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16O
Molecular Weight	164.2441
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-tert-Butyl-4-methylphenol

SMILES

CC1=CC=C(O)C(=C1)C(C)(C)C

InChI

InChIKey=IKEHOXWJQXIQAG-UHFFFAOYSA-N

InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C11H16O
Molecular Weight	164.2441
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Pharmacologic and genetic studies on the modulatory effects of butylated hydroxytoluene on mouse lung adenoma formation.	1984 Oct	6592388
Structure-activity relations in promotion of rat urinary bladder carcinogenesis by phenolic antioxidants.	1990 Aug	2118890
Cytotoxicity and apoptosis induction by butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT).	2003 Nov-Dec	14981915

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Patents

Substance Class	Chemical
Record UNII	Y9VVU7G7J4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-tert-Butyl-4-methylphenol

Systematic Name

English

NSC-60301

Preferred Name

English

P-CRESOL, 2-TERT-BUTYL-

Systematic Name

English

1-HYDROXY-2-TERT-BUTYL-4-METHYLBENZENE

Systematic Name

English

BUTYL-4-METHYLPHENOL, 2-TERT-

Systematic Name

English

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Code System

Code

Type

Description

NSC

60301

PRIMARY

CAS

29759-28-2

NON-SPECIFIC SUBSTITUTION

ECHA (EC/EINECS)

219-314-6

PRIMARY

PUBCHEM

17004

PRIMARY

FDA UNII

Y9VVU7G7J4

PRIMARY

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Related Record

Type

Details


					1P9D0Z171K

Butylated hydroxytoluene

PARENT -> IMPURITY

Amount:

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