2-sec-Butylphenol - CAS 89-72-5

Catalog:	BB039581
Product Name:	2-sec-Butylphenol
CAS:	89-72-5
Synonyms:	2-butan-2-ylphenol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-butan-2-ylphenol
Description:	2-sec-Butylphenol (CAS# 89-72-5) is a useful research chemical.
Molecular Weight:	150.22
Molecular Formula:	C10H14O
Canonical 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
InChI Key:	NGFPWHGISWUQOI-UHFFFAOYSA-N
Boiling Point:	226-228 °C
Melting Point:	54 °F
Flash Point:	234 °F
Density:	0.9804 g/cm³
Solubility:	less than 1 mg/mL at 68 °F
Appearance:	Clear colorless liquid.
MDL:	MFCD00002225
LogP:	2.90570
Stability:	Slightly volatile
Vapor Pressure:	Low

Publication Number	Title	Priority Date
CN-113150287-A	Preparation method of cross-linkable fluorine-containing polyphosphazene	20210421
KR-102242171-B1	Self emission type photosensitive resin composition, and display device comprising color conversion layer prepared thereby	20201217
KR-20210004913-A	Self emission type photosensitive resin composition, and display device comprising color conversion layer prepared thereby	20201217
CN-111840386-A	Traditional Chinese medicine composition for treating lumbar disc herniation and preparation method thereof	20200909
CN-112010787-A	Agricultural preparation dispersant, preparation method and application thereof	20200729

PMID	Publication Date	Title	Journal
25349334	20150201	Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein	Toxicological sciences : an official journal of the Society of Toxicology
23013281	20121119	Rat α-Fetoprotein binding affinities of a large set of structurally diverse chemicals elucidated the relationships between structures and binding affinities	Chemical research in toxicology
22858690	20120921	Electrochemical behavior of o-sec-butylphenol at glassy carbon electrode modified with multiwalled carbon nanotubes and 1-butyl-3-methylimidazolium hexafluorophosphate	The Analyst
22967521	20120915	Application of three phase hollow fiber based liquid phase microextraction (HF-LPME) for the simultaneous HPLC determination of phenol substituting compounds (alkyl-, chloro- and nitrophenols)	Talanta
22259845	20110101	Chemical category approach of genotoxicity studies for branched alkylphenols	Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences

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GHS Hazard Statement:	H302 (89.35%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P391, P405, and P501
Signal Word:	Danger

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