Diisopropyl (r)-( )-malate supplier

Name
DIISOPROPYL (R)-(+)-MALATE
EINECS
CAS No. 83540-97-0
Article Data10
CAS DataBase
Density 1.095 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O₅
Boiling Point 301.2 °C at 760 mmHg
Molecular Weight 218.25
Flash Point 108.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 72.83000
LogP 0.64060

Diisopropyl (r)-( )-malate 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

Product Name

DIISOPROPYL (R)-(+)-MALATE

Diisopropyl (r)-( )-malate Specification

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