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CAS No.: | 21641-92-9 |
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Name: | (S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C6H12O3 |
Molecular Weight: | 132.159 |
Synonyms: | Butyric acid, 2-hydroxy-3,3-dimethyl-,L-(+)- (8CI);(+)-2-Hydroxy-3,3-dimethylbutyric acid;(2S)-2-Hydroxy-3,3-dimethylbutanoic acid;Butanoicacid, 2-hydroxy-3,3-dimethyl-, (S)-;(S)-2-Hydroxy-3,3-dimethylbutanoicacid;Butyric acid, 2-hydroxy-3,3-dimethyl-,L-(+)- (8CI);(S)-3,3-Dimethyl-2-hydroxybutyric acid;(S)-Trimethyllactic acid;L-a-Trimethyllactate; |
Density: | 1.1g/cm3 |
Melting Point: | 48-50oC |
Boiling Point: | 242.4oCat760mmHg |
Flash Point: | 114.6oC |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
Safety: | S26;S36 |
PSA: | 60.36000 |
LogP: | -0.85670 |
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The (S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid with the cas number 21641-92-9, is also called 2-Hydroxy-3,3-dimethylbutyric acid. The IUPAC name is (2S)-2-hydroxy-3,3-dimethylbutanoic acid. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Chiral Building Blocks; (3)Organic Building Blocks.
Properties Computed from Structure: (1)XLogP3-AA: 0.9; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Exact Mass: 132.078644; (6)MonoIsotopic Mass: 132.078644; (7)Topological Polar Surface Area: 57.5; (8)Heavy Atom Count: 9; (9)Formal Charge: 0; (10)Complexity: 112; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 1; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C(C(=O)O)O
(2)InChI: InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
(3)InChIKey: FWVNWTNCNWRCOU-SCSAIBSYSA-N