(±)-3-tert-Butoxy-1,2-propanediol - CAS 74338-98-0

Catalog:	BB035065
Product Name:	(±)-3-tert-Butoxy-1,2-propanediol
CAS:	74338-98-0
Synonyms:	3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol
Description:	(±)-3-tert-Butoxy-1,2-propanediol (CAS# 74338-98-0) is a diesel fuel additive.
Molecular Weight:	148.20
Molecular Formula:	C7H16O3
Canonical SMILES:	CC(C)(C)OCC(CO)O
InChI:	InChI=1S/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3
InChI Key:	JPWDLYMEUNBLIR-UHFFFAOYSA-N
Boiling Point:	254.6 °C at 760 mmHg
Density:	1.0 g/mL at 20°C(lit.)
LogP:	0.15470

Publication Number	Title	Priority Date
CN-111517921-A	Process and device for refining glycerol	20200428
JP-2021143201-A	Physical property stabilizer for water-based cosmetics	20200410
WO-2021172269-A1	Yellow-dulling remediation agent, cosmetic composition, and yellow-dulling remediation method	20200228
WO-2021157549-A1	Topical composition for improving skin texture, cosmetic composition, and skin texture improving method	20200204
BR-102020001472-A2	PROCESSES FOR THE PRODUCTION OF GLYCEROL BIOETHERS VIA WILLIAMSON SYNTHESIS IN HETEROGENEOUS MEDIUM	20200123

PMID	Publication Date	Title	Journal
20598292	20100816	Regioselective O-glucosylation by sucrose phosphorylase: a promising route for functional diversification of a range of 1,2-propanediols	Carbohydrate research
17085068	20070701	Mono-, di-, and tri-tert-butyl ethers of glycerol. A molecular spectroscopic study	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
16061300	20051206	Novel microbial epoxide hydrolases for biohydrolysis of glycidyl derivatives	Journal of biotechnology

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Complexity:	85.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.109944368
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.109944368
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2