2-tert-butylpropanedioic acid, also known as 2-tert-butylmalonic acid, is an organic compound with the chemical formula C7H12O4. It is a white crystalline solid that is soluble in water and has a molecular weight of 160.17 g/mol. This dicarboxylic acid is a derivative of malonic acid, where one of the hydrogen atoms on the central carbon is replaced by a tert-butyl group (C(CH3)3). 2-tert-butylpropanedioic acid is used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique structural properties and reactivity. It is typically synthesized through the condensation of acetone with cyanoacetic acid or by the carboxylation of 2-tert-butylacetaldehyde.
4379-33-3
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Basic information
- Product Name: 2-tert-butylpropanedioic acid
- Synonyms: propanedioic acid, 2-(1,1-dimethylethyl)-; tert-Butylmalonic acid
- CAS NO:4379-33-3
- Molecular Formula: C7H12O4
- Molecular Weight: 160.1678
- EINECS: N/A
- Product Categories: N/A
- Mol File: 4379-33-3.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 314.8°Cat760mmHg
- Flash Point: 158.4°C
- Appearance: /
- Density: 1.197g/cm3
- Vapor Pressure: 9.84E-05mmHg at 25°C
- Refractive Index: 1.473
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 2-tert-butylpropanedioic acid(CAS DataBase Reference)
- NIST Chemistry Reference: 2-tert-butylpropanedioic acid(4379-33-3)
- EPA Substance Registry System: 2-tert-butylpropanedioic acid(4379-33-3)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 4379-33-3(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 4379-33-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,3,7 and 9 respectively; the second part has 2 digits, 3 and 3 respectively.Calculate Digit Verification of CAS Registry Number 4379-33:
(6*4)+(5*3)+(4*7)+(3*9)+(2*3)+(1*3)=103
103 % 10 = 3
So 4379-33-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H12O4/c1-7(2,3)4(5(8)9)6(10)11/h4H,1-3H3,(H,8,9)(H,10,11)
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2-tert-butylpropanedioic acid
