CAS No.83540-97-0,DIISOPROPYL (R)-(+)-MALATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83540-97-0
Name:	DIISOPROPYL (R)-(+)-MALATE
Article Data:	10

Formula:	C₁₀H₁₈O₅
Molecular Weight:	218.25
Synonyms:	Butanedioicacid, hydroxy-, bis(1-methylethyl) ester, (2R)- (9CI);Butanedioic acid,hydroxy-, bis(1-methylethyl) ester, (R)-;Diisopropyl(R)-(+)-2-hydroxysuccinate;Diisopropyl D-malate;dipropan-2-yl (2S)-2-hydroxybutanedioate;butanedioic acid, 2-hydroxy-, bis(1-methylethyl) ester, (2S)-;diisopropyl (2S)-2-hydroxysuccinate;
Density:	1.095 g/cm³
Boiling Point:	301.2 °C at 760 mmHg
Flash Point:	108.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	72.83000
LogP:	0.64060

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- China (Mainland)(20)
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Specification

The Diisopropyl (r)-( )-malate, with the CAS registry number 83540-97-0, has the systematic name of dipropan-2-yl (2S)-2-hydroxybutanedioate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₈O₅.

The characteristics of Diisopropyl (r)-( )-malate are as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.99; (6)ACD/BCF (pH 7.4): 2.99; (7)ACD/KOC (pH 5.5): 76.14; (8)ACD/KOC (pH 7.4): 76.14; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 53.33 cm³; (15)Molar Volume: 199.2 cm³; (16)Polarizability: 21.14×10^-24cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.095 g/cm³; (19)Flash Point: 108.4 °C; (20)Enthalpy of Vaporization: 62.79 kJ/mol; (21)Boiling Point: 301.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000105 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)C)C[C@H](O)C(=O)OC(C)C
(2)InChI: InChI=1/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3/t8-/m0/s1
(3)InChIKey: XYVHRFVONMVDGK-QMMMGPOBBD