CAS No.6236-09-5,(S)-(+)-CITRAMALIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6236-09-5
Name:	(S)-(+)-CITRAMALIC ACID
Article Data:	18

Formula:	C₅H₈O₅
Molecular Weight:	148.116
Synonyms:	Butanedioicacid, 2-hydroxy-2-methyl-, (S)-;Malic acid, 2-methyl-, (S)-(+)- (8CI);(+)-Citramalic acid;(+)-Methylmalic acid;(S)-(+)-Citramalic acid;(S)-Citramalic acid;2S-Methylmalic acid;L-Citramalic acid;
EINECS:	228-350-1
Density:	1.513 g/cm³
Melting Point:	109-111 °C(lit. )
Boiling Point:	295.2 °C at 760 mmHg
Flash Point:	146.6 °C
Appearance:	white fine crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	94.83000
LogP:	-0.70330

Synthetic route

: 93239-42-0
(R)-4-methyl-4-(trichloromethyl)-2-oxetanone

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With sodium hydroxide In water 1.) 5 deg C; 2.) room temperature;	96%
With sodium hydroxide at 20℃; Hydrolysis;

: (2'R,4'S)-2-<2'-(tert-Butyl)-4'-methyl-1',3'-dioxolan-4'-yl>essigsaeure

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With hydrogenchloride at 80℃; for 19h;	80%

: 498-24-8
Mesaconic acid

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With formaldehyd; TETRACYCLINE; paraquat dichloride In water at 37℃; for 24h; Clostridium formicoaceticum, phosphate buffer;	69.8%
mit Hilfe eines Mesaconase-Praeparats;

: 597-44-4
2-hydroxy-2-methylbutane-1,4-dioic acid

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With strychnidin-10-one
With water; brucine

: 32814-40-7
S-(+)-Methyl-γ-iodo-β-carbomethoxy-β-hydroxy-butyrat

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
(i) NaSH, H2S, EtOH, (ii) Raney-Ni, acetone, (iii) aq. HCl; Multistep reaction;

: 92572-49-1
<(2S,4S)-2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl>acetic acid

: 6236-09-5
(S)-citramalic acid

: (2R,3S,5S)-5-((R)-1,2-Dihydroxy-ethyl)-3-methyl-tetrahydro-furan-2,3-diol

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With potassium hydroxide; potassium permanganate 1.) water, 4-5 deg C, 1 h; Yield given. Multistep reaction;

: (S)-2-Hydroxy-2-methyl-succinic acid 1-((1S,2R)-2-phenyl-cyclohexyl) ester

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran at 60℃; for 24h;

: 32150-78-0
(4S)-(+)-4-methylmuconolactone

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With nitric acid; ozone 1.) CH2Cl2, -70 deg C; 2.) H2O, 90 deg C; Multistep reaction;

: 197069-14-0
1-benzyl hydrogen 2-hydroxy-2-methylbutanedioate

: 6236-09-5
(S)-citramalic acid

Conditions

Conditions	Yield
With potassium hydroxide Hydrolysis;

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- China (Mainland)(18)
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Specification

The Butanedioic acid, 2-hydroxy-2-methyl-, (2S)-, with the CAS registry number of 6236-09-5, is also known as (S)-(+)-Citramalic acid and L-(+)-2-Methylmalic acid. Its EINECS registry number is 228-350-1. This chemical's molecular formula is C₅H₈O₅ and molecular weight is 148.11. What's more, its IUPAC name is (2S)-2-Hydroxy-2-methylbutanedioic acid.

Physical properties about Butanedioic acid, 2-hydroxy-2-methyl-, (2S)- are: (1)ACD/LogP: -0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.03; (4)ACD/LogD (pH 7.4): -5.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 29.84 cm³; (15)Molar Volume: 97.8 cm³; (16)Polarizability: 11.83×10^-24 cm³; (17)Surface Tension: 73.4 dyne/cm; (18)Density: 1.513 g/cm³; (19)Flash Point: 146.6 °C; (20)Enthalpy of Vaporization: 62.05 kJ/mol; (21)Boiling Point: 295.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000161 mmHg at 25 °C; (23)Melting Point: 109-111 °C(lit. ).

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)(C)CC(=O)O
(2) InChI: InChI=1/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)
(3) InChIKey: XFTRTWQBIOMVPK-UHFFFAOYAT