4-(3,5-Dimethyl-3-heptyl)phenol - CAS 186825-36-5
Catalog: |
BB014374 |
Product Name: |
4-(3,5-Dimethyl-3-heptyl)phenol |
CAS: |
186825-36-5 |
Synonyms: |
4-(3,5-dimethylheptan-3-yl)phenol |
IUPAC Name: | 4-(3,5-dimethylheptan-3-yl)phenol |
Description: | 4-(3,5-Dimethyl-3-heptyl)phenol (CAS# 186825-36-5 ) is a useful research chemical. |
Molecular Weight: | 220.35 |
Molecular Formula: | C15H24O |
Canonical SMILES: | CCC(C)CC(C)(CC)C1=CC=C(C=C1)O |
InChI: | InChI=1S/C15H24O/c1-5-12(3)11-15(4,6-2)13-7-9-14(16)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3 |
InChI Key: | RYIHVIPUIXFRNI-UHFFFAOYSA-N |
Appearance: | Colorless liquid |
LogP: | 4.49610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P260, P264, P270, P273, P280, P281, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P391, P405, and P501 |
Signal Word: | Danger |
PMID | Publication Date | Title | Journal |
22892466 | 20121026 | Sorption of a branched nonylphenol and perfluorooctanoic acid on Yangtze River sediments and their model components | Journal of environmental monitoring : JEM |
21524780 | 20110701 | Effect of structural composition of humic acids on the sorption of a branched nonylphenol isomer | Chemosphere |
21614713 | 20110101 | Distribution, fate and formation of non-extractable residues of a nonylphenol isomer in soil with special emphasis on soil derived organo-clay complexes | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes |
20481550 | 20100615 | Bioaccumulation and bound-residue formation of a branched 4-nonylphenol isomer in the geophagous earthworm Metaphire guillelmi in a rice paddy soil | Environmental science & technology |
19495744 | 20090801 | Impact of bio-augmentation with Sphingomonas sp. strain TTNP3 in membrane bioreactors degrading nonylphenol | Applied microbiology and biotechnology |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.182715385 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.182715385 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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