5-Ethyl-1,3-benzenediol - CAS 4299-72-3

Catalog:	BB065940
Product Name:	5-Ethyl-1,3-benzenediol
CAS:	4299-72-3
Synonyms:	5-Ethyl-resorcinol; 5-Ethylresorcin; 5-Ethylresorcinol; Homoorcinol

Technical Data

IUPAC Name:	5-ethylbenzene-1,3-diol
Description:	5-Ethyl-1,3-benzenediol is a useful compound that is utilized in polycarbonate-тАЛpolyester blends. As well, it is a useful reactant for the synthesis of organic compounds such as resorcinol-тАЛformaldehyde, and dihydroxyphthalic acids.
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	CCC1=CC(=CC(=C1)O)O
InChI:	InChI=1S/C8H10O2/c1-2-6-3-7(9)5-8(10)4-6/h3-5,9-10H,2H2,1H3
InChI Key:	MSFGJICDOLGZQK-UHFFFAOYSA-N
Melting Point:	98-102°C
Solubility:	Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White to Beige Solid
Storage:	4°C
References:	Yurkevichyute, A.S., et al. Solid Fuel Chem., 50, 64-68 (2016); Chakravarti, S., et al. U.S.14 pp., Chemical Indexing Equivalent to 148:562759 (WO) Patent 2010 CODEN:USXXAM.

Complexity:	93.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.068079557
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2