Hexanoic acid, 6-chloro-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S)- supplier

Name
tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate
EINECS
CAS No. 154026-93-4
Article Data13
CAS DataBase
Density 1.169 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₉ClO₄
Boiling Point 364.584 °C at 760 mmHg
Molecular Weight 238.711
Flash Point 174.295 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate;
PSA 66.76000
LogP 1.06890

Hexanoic acid, 6-chloro-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S)- Specification

The Hexanoic acid, 6-chloro-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S)-, with the CAS registry number 154026-93-4, is also known as tert-Butyl (5S,3R)-6-chloro-3,5-dihydroxyhexanoate. This chemical's molecular formula is C₁₀H₁₉ClO₄ and molecular weight is 238.7085. Its systematic name is called tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate.

Physical properties of Hexanoic acid, 6-chloro-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S)-: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 71; (7)ACD/KOC (pH 7.4): 71; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 57.954 cm³; (13)Molar Volume: 204.283 cm³; (14)Surface Tension: 40.864 dyne/cm; (15)Density: 1.169 g/cm³; (16)Flash Point: 174.295 °C; (17)Enthalpy of Vaporization: 70.69 kJ/mol; (18)Boiling Point: 364.584 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C[C@H](O)C[C@H](O)CCl
(2)InChI: InChI=1/C10H19ClO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m1/s1
(3)InChIKey: FIKPWJZUGTVXCO-SFYZADRCBF

Product Name

tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate

Hexanoic acid, 6-chloro-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S)- Specification

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