Isononylphenol - CAS 11066-49-2

Catalog:	BB060765
Product Name:	Isononylphenol
CAS:	11066-49-2
Synonyms:	2-(7-Methyloctyl)phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(7-methyloctyl)phenol
Description:	Isononylphenol is used as a material in the preparation method of UV/heat dual-curing blocked polyisocyanate emulsion.
Molecular Weight:	220.36
Molecular Formula:	C15H24O
Canonical SMILES:	CC(C)CCCCCCC1=CC=CC=C1O
InChI:	InChI=1S/C15H24O/c1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)16/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChI Key:	UZVAZDQMPUOHKP-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly), DCM, Hexanes
Appearance:	Light Yellow to Colourless Oil
Storage:	20°C
References:	Wu, S., et al. Faming Zhuanli Shenqing. 6 pp. (2020).

Publication Number	Title	Priority Date
RU-2751896-C1	Composite piezomaterial and method for its manufacture	20201130
EP-3945126-A1	Dehazing compositions for fuels	20200731
RU-2739182-C1	Coal benefication method	20200728
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US-2022007641-A1	Branched amino acid surfactants for agricultural products	20200713
WO-2022015605-A1	Branched amino acid surfactants for agricultural products	20200713
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WO-2022002753-A1	Biocide compositions	20200629
JP-2022002608-A	Rubber composition for golf balls and golf balls	20200623

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P391, P405, and P501
Signal Word:	Danger

Complexity:	165
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:	7
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.9