1,3-Diisopropoxybenzene - CAS 79128-08-8

Catalog:	BB036294
Product Name:	1,3-Diisopropoxybenzene
CAS:	79128-08-8
Synonyms:	1,3-di(propan-2-yloxy)benzene

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Computed Properties

IUPAC Name:	1,3-di(propan-2-yloxy)benzene
Description:	1,3-Diisopropoxybenzene (CAS# 79128-08-8 ) is a useful research chemical.
Molecular Weight:	194.27
Molecular Formula:	C12H18O2
Canonical SMILES:	CC(C)OC1=CC(=CC=C1)OC(C)C
InChI:	InChI=1S/C12H18O2/c1-9(2)13-11-6-5-7-12(8-11)14-10(3)4/h5-10H,1-4H3
InChI Key:	REKFSOLBSHAFDG-UHFFFAOYSA-N
Boiling Point:	89.5-95 °C / 3 mmHg
Purity:	95 %
Density:	0.964 g/cm³
Appearance:	Yellow liquid
LogP:	3.26100

Publication Number	Title	Priority Date
CN-110041173-A	A kind of new resveratrol and its derivative synthesizing process and application	20190510
CN-109354684-A	A kind of new process of the double oxazoles of synthesis polyparaphenylene's benzo	20181023
CN-109354684-B	Process for synthesizing poly (p-phenylene benzobisoxazole)	20181023
WO-2020033377-A1	Histone demethylase 5 inhibitors and uses thereof	20180806
CN-110483258-A	Diaryl derivative compound and skin lightening compositions comprising the compound	20180514

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.130679813
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.130679813
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8