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Substance Name: tert-Butyl acetate
RN: 540-88-5
UNII: 76N22HKP3X
InChIKey: WMOVHXAZOJBABW-UHFFFAOYSA-N

Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (200 ppm)
  • TWA 200 ppm (950 mg/m3)

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.1588
 
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Names and Synonyms

Name of Substance

  • tert-Butyl acetate

Synonyms

  • 1,1-Dimethyl acetate
  • 4-02-00-00151 (Beilstein Handbook Reference)
  • Acetic acid, 1,1-dimethylethyl ester
  • Acetic acid, tert-butyl ester
  • BRN 1699506
  • CCRIS 8999
  • EC 208-760-7
  • EINECS 208-760-7
  • HSDB 835
  • NSC 59719
  • t-Butyl acetate
  • tert butyl acetate
  • tert-Butyl acetate
  • tert-Butyl ethanoate
  • Texaco lead appreciator
  • TLA
  • UNII-76N22HKP3X

Systematic Names

  • Acetic acid, 1,1-dimethylethyl ester
  • Acetic acid, tert-butyl ester
  • tert-Butyl acetate

Superlist Names

  • Acetic acid, 1,1-dimethylethyl ester
  • t-Butyl acetate
  • tert-Butyl acetate
  • tert-Butyl acetate [UN1123] [Flammable liquid]
  • UN1123

Registry Numbers

CAS Registry Number

  • 540-88-5

FDA UNII

  • 76N22HKP3X

System Generated Number

  • 0000540885

Structure Descriptors

InChI

1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

Smiles

C(OC(C)=O)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
National Technical Information Service. Vol. OTS0573684-1,
rat LC50 inhalation > 2230mg/m3/4H (2230mg/m3)   National Technical Information Service. Vol. OTS0573684-1,
rat LD50 oral 4100mg/kg (4100mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0573684-1,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 97 deg C   EXP
log P (octanol-water) 1.76 (none)   EXP
Water Solubility 8330 mg/L 25 EXP
Vapor Pressure 47 mm Hg 25 EXP
Henry's Law Constant 8.62E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.50E-13 cm3/molecule-sec 25 EXP

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