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Key Documents

433845

Sigma-Aldrich

1-tert-Butoxy-2-propanol

99%

Synonym(s):

Propylene glycol 1-tert-butyl ether

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About This Item

Linear Formula:
(CH3)3COCH2CH(OH)CH3
CAS Number:
Molecular Weight:
132.20
Beilstein:
1734501
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

99%

refractive index

n20/D 1.413 (lit.)

bp

143-145 °C (lit.)

density

0.874 g/mL at 20 °C (lit.)

SMILES string

CC(O)COC(C)(C)C

InChI

1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3

InChI key

GQCZPFJGIXHZMB-UHFFFAOYSA-N

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General description

IARC Monographs of 1-tert-butoxy-2-propanol on the evaluation of the carcinogenic risk of chemicals to humans has been reported. Synthesis of 1-tert-butoxy-2-propanol from propylene glycol and isobutene over montmorillonite and Amberlyst 15 (two solid acid catalysts), in a packed trickle-bed reactor has been reported. It is an oxygenate gasoline additive and its antiknocking properties were evaluated.

Application

1-tert-Butoxy-2-propanolwas used as solvent to evaluate the mole fraction solubilities of 3-methylbenzoic acid (crystalline nonelectrolyte solute) at 298.15K.

Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

111.2 °F - closed cup

Flash Point(C)

44 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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National Toxicology Program technical report series, (515)(515), 1-306 (2004-05-18)
Propylene glycol mono-t-butyl ether is used as a solvent in all-purpose cleaners, inks, and nail polish lacquers. We studied the effects of propylene glycol mono-t-butyl ether on male and female rats to identify potential toxic or cancer-related hazards to humans.
Adriana M Doi et al.
Toxicologic pathology, 35(4), 533-540 (2007-06-15)
Chemically induced renal neoplasms in male rats, developed coincident with alpha(2u)-globulin nephropathy, are not considered predictive of risk to humans by the International Agency for Research on Cancer (IARC) and the U.S. Environmental Protection Agency. Criteria have been defined to
Adriana M Doi et al.
Toxicology, 199(1), 1-22 (2004-05-06)
Propylene glycol mono-t-butyl ether (PGMBE) is used as a solvent in a variety of commercial applications. Male and female F344/N rats and B6C3F(1) mice were exposed to PGMBE by whole-body inhalation for 2 or 14 weeks (0, 75, 150, 300
Mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents
Grubbs LM, et al.
Fluid Phase Equilibria, 298(1), 48-53 (2010)
Vincent James Cogliano et al.
Environmental health perspectives, 113(9), 1205-1208 (2005-09-06)
An international, interdisciplinary working group of expert scientists met in June 2004 to develop IARC Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans (IARC Monographs) on formaldehyde, 2-butoxyethanol, and 1-tert-butoxy-2-propanol. Each IARC Monograph includes a critical

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