Home Other Building Blocks 3-Isopropylphenol

3-Isopropylphenol

CAS No.:
618-45-1
Catalog Number:
AG0033QK
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$63
- +
10g
98%
In Stock USA
United States
$118
- +
25g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG0033QK
Chemical Name:
3-Isopropylphenol
CAS Number:
618-45-1
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00002301
IUPAC Name:
3-propan-2-ylphenol
InChI:
InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
InChI Key:
VLJSLTNSFSOYQR-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(C)C
UNII:
ERD00478GH
NSC Number:
2209
Properties
Complexity:
98.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1. Biodegradation 20100401
Responses of Tabanidae (Diptera) to canopy traps baited with 4-methylphenol, 3-isopropylphenol, and naphthalene. Journal of vector ecology : journal of the Society for Vector Ecology 20071201
Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole. PLoS biology 20060401
Aquatic toxicity of four alkylphenols (3-tert-butylphenol, 2-isopropylphenol, 3-isopropylphenol, and 4-isopropylphenol) and their binary mixtures to microbes, invertebrates, and fish. Environmental toxicology 20040201
Properties