Glycolic acid - CAS 79-14-1

Catalog:	BB036297
Product Name:	Glycolic acid
CAS:	79-14-1
Synonyms:	Acetic acid, 2-hydroxy-; Acetic acid, hydroxy-; 2-Hydroxyethanoic acid; Glycocide; GlyPure; GlyPure 70; GlyPure 99; Hydroxyacetic acid; Hydroxyethanoic acid; NSC 166; YST-GCS; α-Hydroxyacetic acid

Technical Data

Related CAS:	1932-50-9 (potassium salt) 996-23-6 (calcium salt)
IUPAC Name:	2-hydroxyacetic acid
Description:	Constituent of sugar cane juice.
Molecular Weight:	76.05
Molecular Formula:	C2H4O3
Canonical SMILES:	C(C(=O)O)O
InChI:	InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChI Key:	AEMRFAOFKBGASW-UHFFFAOYSA-N
Boiling Point:	104°C at 10 Torr
Melting Point:	80°C
Flash Point:	128.7ºC
Purity:	≥95%
Density:	1.49 g/cm3
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	Colourless crystalline solid
Storage:	Store at 2-8°C
Decomposition:	Hazardous decomposition products formed under fire conditions. - carbon oxides
LogP:	-0.93670
pH:	2.5 (0.5%); 2.33 (1.0%); 2.16 (2.0%); 1.91 (5.0%); 1.73 (10.0%)
Refractive Index:	n20/D 1.424
Stability:	Stable. Incompatible with bases, oxidizing agents and reducing agents.
Vapor Pressure:	0.02 mmHg;2.0X10-2 mm Hg at 25 °C (extrapolated)

GHS Hazard Statement:	H302 (86.21%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
33358762	20210301	The EyeIRR-IS assay: Development and evaluation of an in vitro assay to measure the eye irritation sub-categorization of liquid chemicals	Toxicology in vitro : an international journal published in association with BIBRA
32979392	20201115	The effects of aliphatic alcohols and related acid metabolites in zebrafish embryos - correlations with rat developmental toxicity and with effects in advanced life stages in fish	Toxicology and applied pharmacology
31711903	20200101	Exposure-based assessment of chemical teratogenicity using morphogenetic aggregates of human embryonic stem cells	Reproductive toxicology (Elmsford, N.Y.)
29953848	20180825	Mechanistic-based non-animal assessment of eye toxicity: Inflammatory profile of human keratinocytes cells after exposure to eye damage/irritant agents	Chemico-biological interactions
28115647	20170301	Urinary Time- or Dose-Dependent Metabolic Biomarkers of Aristolochic Acid-Induced Nephrotoxicity in Rats	Toxicological sciences : an official journal of the Society of Toxicology

Complexity:	40.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	76.016043985
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	76.016043985
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1