(±)-1,2,4-Butanetriol - CAS 3068-00-6

Catalog:	BB020676
Product Name:	(±)-1,2,4-Butanetriol
CAS:	3068-00-6
Synonyms:	butane-1,2,4-triol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	butane-1,2,4-triol
Description:	(±)-1,2,4-Butanetriol (CAS# 3068-00-6) is a useful research chemical.
Molecular Weight:	106.12
Molecular Formula:	C4H10O3
Canonical SMILES:	C(CO)C(CO)O
InChI:	InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
InChI Key:	ARXKVVRQIIOZGF-UHFFFAOYSA-N
Boiling Point:	190-191 °C (18 mmHg)
Melting Point:	-20 °C
Purity:	95 %
Density:	1.018 g/cm³
Appearance:	Clear yellow to slightly brownish liquid
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
MDL:	MFCD00002929
LogP:	-1.27800

Publication Number	Title	Priority Date
EP-2837667-A2	One-component amino resin coating composition	20140929
EP-2808354-A1	Fast drying, hard elastic, scratch-proof and resistant coating compositions	20140808
US-2015374875-A1	Absorbent article comprising a cooling system	20140630
WO-2015198326-A1	Liposomal formulations for delivery of nucleic acids	20140626
US-2015370217-A1	Blade member, image forming apparatus and process cartridge	20140624

PMID	Publication Date	Title	Journal
22875400	20121001	Microbial D-xylonate production	Applied microbiology and biotechnology
22244351	20120113	Cleavage of pyrene-stabilized RNA bulge loops by trans-(±)-cyclohexane-1,2-diamine	Chemistry Central journal
23033472	20120101	Toward a semisynthetic stress response system to engineer microbial solvent tolerance	mBio
21708519	20110901	Beneficial effects of pseudoceramide-containing physiologic lipid mixture as a vehicle for topical steroids	European journal of dermatology : EJD
21170321	20101210	Plasma metabolomic profiles reflective of glucose homeostasis in non-diabetic and type 2 diabetic obese African-American women	PloS one

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Related Functional Groups

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Oxygen Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	37.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	106.062994177
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	106.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	60.7 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4