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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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
InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3InChIKey
WMOVHXAZOJBABW-UHFFFAOYSA-NSmiles
CC(=O)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.