CAS No.15026-17-2,Mono-tert-butyl succinate Suppliers

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Basic Information

CAS No.:

15026-17-2

Name:

Mono-tert-butyl succinate

Article Data:

Molecular Structure:

Formula:

C₈H₁₄O₄

Molecular Weight:

174.197

Synonyms:

Butanedioicacid, mono(1,1-dimethylethyl) ester (9CI);Succinic acid, mono-tert-butyl ester(8CI);Succinic acid, tert-butyl ester (6CI);4-tert-Butoxy-4-oxobutanoic acid;Mono-tert-butyl succinate;tert-Butyl succinate;

Density:

1.097g/cm³

Melting Point:

51-54 ºC

Boiling Point:

272.4°Cat760mmHg

Flash Point:

110 ºC

Solubility:

Slightly soluble in water.

Hazard Symbols:

Risk Codes:

R36/37/38

Safety:

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
WGK Germany	3

PSA:

63.60000

LogP:

1.19290

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Specification

The Mono-tert-butyl succinate with cas registry number of 15026-17-2, belongs to the following product categories: (1)C8 to C9; (2)Carbonyl Compounds; (3)Esters. It has the systematic name of 4-tert-butoxy-4-oxobutanoic acid. And it is also named butanedioic acid, mono(1,1-dimethylethyl) ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.06; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 42.41 cm³; (15)Molar Volume: 158.7 cm³; (16)Polarizability: 16.81×10^-24cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Enthalpy of Vaporization: 56.21 kJ/mol; (19)Vapour Pressure: 0.00169 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Mono-tert-butyl succinate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(OC(C)(C)C)CCC(=O)O;
(2)InChI: InChI=1/C8H14O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10);
(3)InChIKey: PCOCFIOYWNCGBM-UHFFFAOYAB;
(4)Std. InChI: InChI=1S/C8H14O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10);
(5)Std. InChIKey: PCOCFIOYWNCGBM-UHFFFAOYSA-N