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Substance Name: 2-Butanol, 2-methyl-, acetate
RN: 625-16-1
InChIKey: JCCIFDCPHCKATH-UHFFFAOYSA-N

Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (50 ppm); STEL (100 ppm)

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Links to Resources

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  • TLV

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Names and Synonyms

Synonyms

  • 2-Methyl-2-butanol acetate
  • tert-Amyl acetate

Systematic Name

  • 2-Butanol, 2-methyl-, acetate

Superlist Names

  • 2-Butanol, 2-methyl-, acetate
  • Pentyl acetate, all isomers
  • tert-Amyl acetate

Registry Numbers

CAS Registry Number

  • 625-16-1

System Generated Number

  • 0000625161

Structure Descriptors

InChI

1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3

InChIKey

JCCIFDCPHCKATH-UHFFFAOYSA-N

Smiles

O(C(CC)(C)C)C(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.230 (none)   EST
Water Solubility 1150 mg/L 25 EST
Vapor Pressure 12.1 mm Hg 25 EST
Henry's Law Constant 5.45E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.69E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.