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57018-52-7 | 1-Tert-Butoxy-2-Propanol
CAS No: 57018-52-7 Catalog No: AG0032U1 MDL No:MFCD00077674
Product Description
Catalog Number:
AG0032U1
Chemical Name:
1-Tert-Butoxy-2-Propanol
CAS Number:
57018-52-7
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
MDL Number:
MFCD00077674
IUPAC Name:
1-[(2-methylpropan-2-yl)oxy]propan-2-ol
InChI:
InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3
InChI Key:
GQCZPFJGIXHZMB-UHFFFAOYSA-N
SMILES:
CC(COC(C)(C)C)O
RTECS Number:
UB3772000
UN Number:
1993
Properties
Complexity:
73.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Is exposure to formaldehyde in air causally associated with leukemia?--A hypothesis-based weight-of-evidence analysis. | Critical reviews in toxicology 20110401 |
| Application of transcriptional benchmark dose values in quantitative cancer and noncancer risk assessment. | Toxicological sciences : an official journal of the Society of Toxicology 20110301 |
| alpha 2u-globulin nephropathy and renal tumors in national toxicology program studies. | Toxicologic pathology 20070101 |
| First experimental demonstration of the multipotential carcinogenic effects of aspartame administered in the feed to Sprague-Dawley rats. | Environmental health perspectives 20060301 |
| Formaldehyde, 2-butoxyethanol and 1-tert-butoxypropan-2-ol. | IARC monographs on the evaluation of carcinogenic risks to humans 20060101 |
| Meeting report: summary of IARC monographs on formaldehyde, 2-butoxyethanol, and 1-tert-butoxy-2-propanol. | Environmental health perspectives 20050901 |
| Inhalation toxicology and carcinogenesis studies of propylene glycol mono-t-butyl ether in rats and mice. | Toxicology 20040601 |
| NTP technical report on the toxicology and carcinogenesis studies of propylene glycol mono-t-butyl ether (CAS No. 57018-52-7) in F344/N rats and B6C3F1 mice and a toxicology study of propylene glycol mono-t-butyl ether in male NBR rats (inhalation studies). | National Toxicology Program technical report series 20040301 |
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