1,3-Dihydroxyacetone - CAS 96-26-4

Catalog:	BB041959
Product Name:	1,3-Dihydroxyacetone
CAS:	96-26-4
Synonyms:	1,3-dihydroxy-2-propanone

Technical Data

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Computed Properties

IUPAC Name:	1,3-dihydroxypropan-2-one
Description:	1,3-Dihydroxyacetone is a useful research chemical.
Molecular Weight:	90.08
Molecular Formula:	C3H6O3
Canonical SMILES:	C(C(=O)CO)O
InChI:	InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChI Key:	RXKJFZQQPQGTFL-UHFFFAOYSA-N
Boiling Point:	213.7 °C at 760 mmHg
Melting Point:	75-80 °C
Purity:	98 %
Density:	1.283 g/cm³
Appearance:	White powder
Storage:	Refrigerator (+4 °C)
Decomposition:	When heated to decomposition it emits acrid smoke and irritating vapors
MDL:	MFCD00004670
LogP:	-1.45990
Vapor Pressure:	0.02 [mmHg]

Publication Number	Title	Priority Date
CN-113475299-A	Planting method for interplanting potatoes in young oranges	20210811
CN-113499786-A	Catalyst for alcohol selective oxidation reaction and preparation method thereof	20210804
CN-113509959-A	Preparation method of hollow mesoporous nano silicon spheres for packaging chiral catalyst, product and application thereof	20210803
JP-6942404-B1	Power generation elements, power generation equipment, electronic devices, power generation methods, and manufacturing methods of power generation elements	20210705
CN-113308756-A	Superfine porous chinlon 6 fiber and preparation method thereof	20210701

PMID	Publication Date	Title	Journal
32506039	20200901	The sunless tanning agent dihydroxyacetone induces stress response gene expression and signaling in cultured human keratinocytes and reconstructed epidermis	Redox biology
31974165	20200306	Metformin lowers glucose 6-phosphate in hepatocytes by activation of glycolysis downstream of glucose phosphorylation	The Journal of biological chemistry
30959092	20190901	Assessing the respiratory toxicity of dihydroxyacetone using an in vitro human airway epithelial tissue model	Toxicology in vitro : an international journal published in association with BIBRA
30038219	20180901	Metformin inhibits gluconeogenesis via a redox-dependent mechanism in vivo	Nature medicine
29193605	20180301	Dihydroxyacetone induces G2/M arrest and apoptotic cell death in A375P melanoma cells	Environmental toxicology

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GHS Hazard Statement:	H315 (99.78%): 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:	44
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	90.031694049
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	90.031694049
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4