2,2,4,4-Tetramethyl-1,3-cyclobutanediol - CAS 3010-96-6

Name: 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020454
Product Name:	2,2,4,4-Tetramethyl-1,3-cyclobutanediol
CAS:	3010-96-6
Synonyms:	Tetramethyl-1,3-cyclobutanediol; 1,1,3,3-Tetramethylcyclobutanediol; cis-2,2,4,4-Tetramethyl-1,3-cyclobutanediol

Technical Data

IUPAC Name:	2,2,4,4-tetramethylcyclobutane-1,3-diol
Description:	2,2,4,4-Tetramethyl-1,3-cyclobutanediol (CAS# 3010-96-6) is a useful research chemical.
Molecular Weight:	144.21
Molecular Formula:	C8H16O2
Canonical SMILES:	CC1(C(C(C1O)(C)C)O)C
InChI:	InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3
InChI Key:	FQXGHZNSUOHCLO-UHFFFAOYSA-N
Boiling Point:	210-215 °C
Melting Point:	123-125 °C
Flash Point:	125 °F
Purity:	≥ 98.0 %
Density:	1.017 g/cm³
Solubility:	Slightly soluble in DMSO, Methanol
Appearance:	White to off-white solid
Storage:	2-8 °C
LogP:	0.77420
Refractive Index:	1.5100 (estimate)

GHS Hazard Statement:	H228 (28.06%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
26289545	20151101	Effect of chronic exposure to two components of Tritan copolyester on Daphnia magna, Moina macrocopa, and Oryzias latipes, and potential mechanisms of endocrine disruption using H295R cells	Ecotoxicology (London, England)
22343188	20120601	Lack of androgenicity and estrogenicity of the three monomers used in Eastman's Tritan™ copolyesters	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.115029749
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	144.115029749
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1