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Butanedioic acid,2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester (87-92-3)

Identification
Name:Butanedioic acid,2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester
Synonyms:Butanedioicacid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester (9CI);Butanedioic acid,2,3-dihydroxy- [R-(R*,R*)]-, dibutyl ester;Tartaric acid, dibutyl ester(6CI,7CI,8CI);(+)-Dibutyl tartrate;(+)-Tartaric acid dibutyl ester;(2R,3R)-Di-n-butyl tartrate;(2R,3R)-Dibutyl tartrate;Dibutyl (+)-L-tartrate;Dibutyl (R,R)-tartrate;Dibutyl L-(+)-tartrate;Dibutyl L-tartrate;Dibutyltartrate;ENT 396;L-(+)-Tartaric acid dibutyl ester;
CAS:87-92-3
EINECS: 201-784-9
Molecular Formula: C12H22O6
Molecular Weight: 262.2995
InChI: InChI=1/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m1/s1
Molecular Structure: (C12H22O6) Butanedioicacid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester (9CI);Butanedioic acid,2,3-dihydroxy- [R-(R*...
Properties
Density:1.09
Refractive index:1.446-1.448
Appearance:clear colourless to yellowish liquid after melting
Specification:

The Dibutyl L-(+)-tartrate, with the CAS registry number 87-92-3, is also known as Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester and Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester. Its EINECS number is 201-784-9. This chemical's molecular formula is C12H22O6 and formula weight is 262.3. What's more, both its IUPAC name and systematic name are the same which is called Dibutyl 2,3-dihydroxybutanedioate. This chemical is clear colourless to yellowish liquid after melting.

Physical properties about this chemical are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 71.06 Å2; (7)Index of Refraction: 1.471; (8)Molar Refractivity: 64.18 cm3; (9)Molar Volume: 229.3 cm3; (10)Surface Tension: 42.9 dyne/cm; (11)Density: 1.143 g/cm3; (12)Flash Point: 119.2 °C; (13)Enthalpy of Vaporization: 65.1 kJ/mol; (14)Boiling Point: 320 °C at 760 mmHg; (15)Melting Point: 20-22 °C; (16)Vapour Pressure: 2.66E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)C(C(C(=O)OCCCC)O)O
(2)InChI: InChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3
(3)InChIKey: PCYQQSKDZQTOQG-UHFFFAOYSA-N

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