Basic information
- Name:
Benzenepropanoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) ester
- Superlist Name:
- 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester
- CAS No.:
41484-35-9
- Molecular Structure:
- Formula:
- C38H58O6S
- Molecular Weight:
- 642.93
- Deleted CAS:
- 53789-56-3,62132-55-2,75915-28-5,894791-61-8
- Synonyms:
- Benzenepropanoicacid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester (9CI);2,2'-Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyhydrocinnamate];2,2'-Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate];Bis[(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl-2-oxyethyl] sulfide;Bis[2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyloxy]ethyl] sulfide;Fenozan 30;IR 1035;Irganox 1035;Irganox L 1035;Naugard EL 50;Thiodi(2,1-ethanediyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate];Thiodiethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate);Thiodiethylene glycol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate];
- EINECS:
- 255-392-8
- Density:
- 1.072 g/cm3
- Melting Point:
- 78 °C
- Boiling Point:
- 659.4 °C at 760 mmHg
- Flash Point:
- 352.6 °C
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Specification
The 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester, with the CAS registry number 41484-35-9, has the systematic name sulfanediyldiethane-2,1-diyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]. Its molecular formula is C38H58O6S and its product category is Organics. Moreover, its EINECS is 255-392-8. It belongs to the classification code Drug / Therapeutic Agent.
Other characteristics of the 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester can be summarised as followings: (1)ACD/LogP: 10.64; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.64; (4)ACD/LogD (pH 7.4): 10.64; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 96.36 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 186.21 cm3; (15)Molar Volume: 599.5 cm3; (16)Polarizability: 73.81×10-24cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 352.6 °C; (20)Enthalpy of Vaporization: 100.57 kJ/mol; (21)Boiling Point: 659.4 °C at 760 mmHg; (22)Vapour Pressure: 5.38E-18 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCSCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C
2.InChI: InChI=1/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3
3.InChIKey: VFBJXXJYHWLXRM-UHFFFAOYAY
