CAS No.338-03-4,3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	338-03-4
Name:	3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID

Formula:	C₅H₇F₃O₃
Molecular Weight:	172.104
Synonyms:	Butyricacid, 4,4,4-trifluoro-3-hydroxy-3-methyl- (6CI,7CI,8CI);4,4,4-Trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid;3-(Trifluoromethyl)-3-hydroxybutyric acid;
EINECS:	-0
Density:	1.438 g/cm³
Melting Point:	39-41℃
Boiling Point:	256.6 °C at 760 mmHg
Flash Point:	109 °C
Appearance:	white to pale yellow low melting solid
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3265
PSA:	57.53000
LogP:	0.77440

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Specification

The Butanoic acid,4,4,4-trifluoro-3-hydroxy-3-methyl-, with the CAS registry number 338-03-4, is also known as 3-(Trifluoromethyl)-3-hydroxybutyric acid. This chemical's molecular formula is C₅H₇F₃O₃ and molecular weight is 172.1. What's more, its systematic name is 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid.

Physical properties of Butanoic acid,4,4,4-trifluoro-3-hydroxy-3-methyl- are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1 ; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.395; (12)Molar Refractivity: 28.73 cm³; (13)Molar Volume: 119.6 cm³; (14)Surface Tension: 33.7 dyne/cm; (15)Density: 1.438 g/cm³; (16)Flash Point: 109 °C; (17)Enthalpy of Vaporization: 57.39 kJ/mol; (18)Boiling Point: 256.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00229 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(O)(C)CC(=O)O
(2)InChI: InChI=1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
(3)InChIKey: JCJGOWYCFRASTM-UHFFFAOYSA-N