4-tret-Octyl-Phenol

CAT: 1596-AR-P31113-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31113-01Size:10 Units

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CAS Number

140-66-9

Synonyms

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

Molecular Formula

C14H22O

Molecular Weight

206.33

API Name

Phenol

Chemical Information

4-Tert-octylphenol

4-tert-Octylphenol is an alkylbenzene.

CAS Number	140-66-9
PubChem CID	8814
IUPAC Name	4-(2,4,4-trimethylpentan-2-yl)phenol
Molecular Formula	C14H22O
Molecular Weight	206.32
XLogP	5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	192

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

InChIKey

ISAVYTVYFVQUDY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140-66-9

CID: 8814

Formula: C14H22O

MW: 206.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.32
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	206.167065321
Monoisotopic Mass	206.167065321
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	192
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-O01035-01	Octinoxate (Octyl 4-Methoxycinnamate)
AR-O01435-01	Octyl Orlistat
AR-N01284-01	4- (dimethylamino) phenol
AR-P31138-01	Phenol Impurity 4
AR-F01153-01	Octyl Palmitate
AR-G01771-01	Octyl β-D-Glucopyranoside
AR-P31092-01	9-octyl-phenanthrene
AR-B01545-01	4- (2-Hydroxyethyl) phenol
AR-P31166-01	Phenol Related Compound 4
AR-P01637-01	4- (3-chlorobenzoyl) Phenol

Catalog	Name
TRC-O293776-2MG	4-n-Octyl-d17-phenol
OR40033-01	2-Bromo-4- (tert-octyl) phenol
MBS3844184-01	4-Octyl Itaconate
FO29526-01	Octyl 4-methoxycinnamate
OR80796-01	Octyl 4-methylbenzenesulfonate
GW6546-50mg	Itaconic acid 4-octyl ester [4-Octyl itaconate]
sc-483671	4′-Octyl-4-biphenylcarbonitrile
T125667-01	Benzeneethanol, 4-octyl