2-sec-Butylphenol

CAT: 0127-OR95428-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR95428-01Size:100 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

89-72-5

MDL Number

MFCD00002225

Purity

98%

Smiles

CCC(C)C1=CC=CC=C1O

Chemical Information

2-sec-Butylphenol

2-sec-butylphenol is a member of the class of phenols that is phenol carrying a butan-2-yl group at position 2.

CAS Number	89-72-5
PubChem CID	6984
IUPAC Name	2-butan-2-ylphenol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	3.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	111

SMILES

CCC(C)C1=CC=CC=C1O

InChI

InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3

InChIKey

NGFPWHGISWUQOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89-72-5

CID: 6984

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TN9661-01	2-sec-Butylphenol
B30330	2-Sec.-Butylphenol
T205997-01	4-sec-Butylphenol
sc-506169A	Di-sec-butylphenol
AR-P31158-01	2,5-Di-sec-Butylphenol
B30350-01	4-sec-Butylphenol 98%
BCA39014	2-Sec-butyl-4-tert-butylphenol
AR-P31157-01	2-tert-Butyl-4-sec-Butylphenol
sc-226786	4-sec-Butyl-2,6-di-tert-butylphenol
TRC-D429508-5ML	Di-sec-butylphenol, mixture of isomers, predom. 2,6-isomer