4-Isopropylphenol

CAT: 0024-sc-238877Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238877Size:5 g

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CAS Number

99-89-8

Chemical Information

4-Isopropylphenol

4-isopropylphenol is a member of the class of phenols that is phenol which is carrying an isopropyl group at position 4. It has a role as a flavouring agent. It derives from a hydride of a cumene.

CAS Number	99-89-8
PubChem CID	7465
IUPAC Name	4-propan-2-ylphenol
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	2.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	90

SMILES

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

InChI

InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3

InChIKey

YQUQWHNMBPIWGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-89-8

CID: 7465

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	136.088815002
Monoisotopic Mass	136.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.9
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

Related Products

Catalog	Name
sc-238103	2-Isopropylphenol
sc-238574	3-Isopropylphenol
sc-489313	2-Isopropenyl-6-isopropylphenol
sc-489320	4-Isopropenylphenol
sc-314624	4- (4-Isopropylphenoxy) aniline
sc-262034A	4-isopropylphenyl isothiocyanate
sc-262034	4-isopropylphenyl isothiocyanate
sc-232800	4-Isopropylphenyl isocyanate
sc-314623	4- (4-Isopropylphenoxy) -3-methylaniline
sc-320866	2- (4-Isopropylphenoxy) -4-methylaniline

Alternative Products

Catalog	Name
M19495	4-Isopropylphenol
I10660-01	4-Isopropylphenol 98%
RG-A262512-01	2-Bromo-4-Isopropylphenol
OR1075729-01	2-Amino-4-isopropylphenol
TRC-A612880-10G	4-Amino-2-isopropylphenol
TN8303-01	3-Methyl-4-isopropylphenol
OR1083471-01	4-chloro-3-isopropylphenol
OR82216-01	2-Chloro-4-isopropylphenol
OR1085226	4-Bromo-3-isopropylphenol
OR1096598-01	4-iodo-2-isopropylphenol

4-Isopropylphenol

Chemical Information

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