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2516-93-0

2516-93-0 | Acetic acid, 2-butoxy-

CAS No: 2516-93-0 Catalog No: AG002QP4 MDL No:MFCD00067044

Product Description

Catalog Number:
AG002QP4
Chemical Name:
Acetic acid, 2-butoxy-
CAS Number:
2516-93-0
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD00067044
IUPAC Name:
2-butoxyacetic acid
InChI:
InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChI Key:
AJQOASGWDCBKCJ-UHFFFAOYSA-N
SMILES:
CCCCOCC(=O)O
NSC Number:
10980

Properties

Complexity:
80.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Literature

Title Journal
Urinary biomarkers of exposure to glycol ethers and chlorinated solvents during pregnancy: determinants of exposure and comparison with indirect methods of exposure assessment. Occupational and environmental medicine 20120101
Biological monitoring of low-level 2-butoxyethanol exposure in decal transfer workers in bicycle manufacturing factories. Occupational and environmental medicine 20111001
Fomepizole fails to prevent progression of acidosis in 2-butoxyethanol and ethanol coingestion. Clinical toxicology (Philadelphia, Pa.) 20100701
Decrease of intracellular pH as possible mechanism of embryotoxicity of glycol ether alkoxyacetic acid metabolites. Toxicology and applied pharmacology 20100601
Determination of butoxyacetic acid (biomarker of ethylene glycol monobutyl ether exposure) in human urine candidate reference material. Analytical and bioanalytical chemistry 20100501
The role of hypoxia in 2-butoxyethanol-induced hemangiosarcoma. Toxicological sciences : an official journal of the Society of Toxicology 20100101
Relative developmental toxicity of glycol ether alkoxy acid metabolites in the embryonic stem cell test as compared with the in vivo potency of their parent compounds. Toxicological sciences : an official journal of the Society of Toxicology 20090701
Metabolism of butoxyethanol in excised human skin in vitro. Toxicology letters 20080401
Potential for metabolism locally in the skin of dermally absorbed compounds. Human & experimental toxicology 20080401
Metabolism and disposition of n-butyl glycidyl ether in F344 rats and B6C3F1 mice. Drug metabolism and disposition: the biological fate of chemicals 20071201
Priming dose of phenylhydrazine protects against hemolytic and lethal effects of 2-butoxyethanol. Toxicology and applied pharmacology 20071115
Development of a gas chromatographic test for the quantitation of the biomarker 2-butoxyacetic acid in urine samples. Journal of chromatographic science 20070801
Percutaneous absorption and metabolism of 2-butoxyethanol in human volunteers: a microdialysis study. Toxicology letters 20070425
Pyrazole and methylpyrazole for the treatment of 2-butoxyethanol poisoning. Acta poloniae pharmaceutica 20070101
Mechanisms of 2-butoxyethanol-induced hemangiosarcomas. Toxicological sciences : an official journal of the Society of Toxicology 20060801
Gas chromatography analysis of urinary alkoxyacetic acids as biomarkers of exposure to aliphatic alkyl ethers. Journal of analytical toxicology 20060501
Physiologically based pharmacokinetic modelling of human exposure to 2-butoxyethanol. Toxicology letters 20060410
Comparison and evaluation of analysis procedures for the quantification of (2-methoxyethoxy)acetic acid in urine. Analytical and bioanalytical chemistry 20050901
INRS activities on risk assessment of glycol ethers. Toxicology letters 20050328
Butoxyacetic acid-induced hemolysis of rat red blood cells: effect of external osmolarity and cations. Toxicology letters 20050328
Effects of diethylene glycol butyl ether and butoxyethoxyacetic acid on rat and human erythrocytes. Toxicology letters 20050328
Mode of action of butoxyethanol-induced mouse liver hemangiosarcomas and hepatocellular carcinomas. Toxicology letters 20050328
Determination of age and gender differences in biochemical processes affecting the disposition of 2-butoxyethanol and its metabolites in mice and rats to improve PBPK modeling. Toxicology letters 20050328
A Test Procedure for the Determination of (2-Methoxyethoxy)acetic Acid in Urine from Jet Fuel-Exposed Mice. Toxicology mechanisms and methods 20050101
Percutaneous penetration and metabolism of 2-butoxyethanol. Archives of toxicology 20041101
Free and total urinary 2-butoxyacetic acid following dermal and inhalation exposure to 2-butoxyethanol in human volunteers. International archives of occupational and environmental health 20041101
Determination of urinary metabolites of alkyl cellosolves by solid phase extraction and GC/FID. Journal of occupational health 20040701
In vivo metabolism and kinetics of ethylene glycol monobutyl ether and its metabolites, 2-butoxyacetaldehyde and 2-butoxyacetic acid, as measured in blood, liver and forestomach of mice. Xenobiotica; the fate of foreign compounds in biological systems 20040701
Percutaneous absorption of neat and aqueous solutions of 2-butoxyethanol in volunteers. International archives of occupational and environmental health 20040201
Synthesis, characterization, and use of 2-[(2H(9))butoxy]acetic acid and 2-(3-methylbutoxy)acetic acid as an internal standard and an instrument performance surrogate, respectively, for the gas chromatographic-mass spectrometric determination of 2-butoxyacetic acid, a human metabolite of 2-butoxyethanol. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030725
Mode of action and pharmacokinetic studies of 2-butoxyethanol in the mouse with an emphasis on forestomach dosimetry. Toxicological sciences : an official journal of the Society of Toxicology 20030201
A human exposure study to investigate biological monitoring methods for 2-butoxyethanol. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20030101
The development of forestomach tumours in the mouse following exposure to 2-butoxyethanol by inhalation: studies on the mode of action and relevance to humans. Toxicology 20021202
In vitro sub-hemolytic effects of butoxyacetic acid on human and rat erythrocytes. Toxicological sciences : an official journal of the Society of Toxicology 20020901
Mechanisms of 2-butoxyethanol carcinogenicity: studies on Syrian Hamster Embryo (SHE) cell transformation. Toxicological sciences : an official journal of the Society of Toxicology 20020701
Effects of 2-butoxyethanol on hepatic oxidative damage. Toxicology letters 20020105
Suppression of the contact hypersensitivity response following topical exposure to 2-butoxyethanol in female BALB/c mice. International journal of toxicology 20020101
Studies on the toxicity of some glycol ethers and alkoxyacetic acids in primary testicular cell cultures. Toxicology and applied pharmacology 19850701

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