Basic information
- Name:
Propanedioic acid, mono(1,1-dimethylethyl) ester
- Superlist Name:
- 3-tert-Butoxy-3-oxopropanoic acid
- CAS No.:
40052-13-9
- Molecular Structure:
- Formula:
- C7H12O4
- Molecular Weight:
- 160.17
- Synonyms:
- Propanedioicacid, mono(1,1-dimethylethyl) ester (9CI);2-(tert-Butoxycarbonyl)acetic acid;Malonic acid mono tert-butyl ester;Malonicacid mono-tert-butyl ester;Malonic acid tert-butyl monoester;Mono-tert-butylmalonate;tert-Butyl hydrogen malonate;Malonic acid mono-tert-butyl ester;
- EINECS:
- 221-943-6
- Density:
- 1.126 g/cm3
- Melting Point:
- 19-20°C(lit.)
- Boiling Point:
- 250.5 °C at 760 mmHg
- Flash Point:
- 97.7 °C
- Hazard Symbols:
T- Risk Codes:
- 26-34
- Safety Description:
- 26-27-36/37/39-45 Details
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Chemistry
Product Name: 3-tert-Butoxy-3-oxopropanoic acid (CAS NO.40052-13-9)
Molecular Formula: C7H12O4
Molar mass: 160.17 g/mol
EINECS: 221-943-6
Density: 1.126 g/cm3
Flash Point: 97.7 °C
Index of Refraction: 1.444
Boiling Point: 250.5 °C at 760 mmHg
Vapour Pressure: 0.00684 mmHg at 25°C
Melting point: 19-20 °C(lit.)
Molar Volume: 142.2 cm3
Polarizability: 14.97 10-24cm3
Surface Tension: 37.6 dyne/cm
SMILES: O=C(OC(C)(C)C)CC(=O)O
InChI: InChI=1/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
InChIKey: NGGGZUAEOKRHMA-UHFFFAOYAV
Std. InChI: InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
Std. InChIKey: NGGGZUAEOKRHMA-UHFFFAOYSA-N
Product categories: Carbonyl Compounds; Esters
Safety Profile
Safety Information of 3-tert-Butoxy-3-oxopropanoic acid (CAS NO.40052-13-9):
Hazard Codes: T.gif){kind=small}
Risk Statements:
26: Very Toxic by inhalation
34: Causes burns
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
3-tert-Butoxy-3-oxopropanoic acid (CAS NO.40052-13-9) also can be called Propanedioic acid, mono(1,1-dimethylethyl) ester ; Mono-(tert-butyl) malonate ; Malonic acid mono-tert butyl ester .
