CAS No.21641-92-9,(S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21641-92-9
Name:	(S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid
Article Data:	16

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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Specification

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