3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester

CAS

41484-35-9

Catalog Number

ACM41484359

Category

Other Products

Molecular Weight

642.93

Molecular Formula

C₃₈H₅₈O₆S

MSDS COA Spec Sheet

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Specification

Synonyms

THIODIETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE);3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoicacidthiodi-2,1-ethanedi;4-hydroxy-3,5-di-tert-butylphenylpropionicacidthioglycolate;benzenepropanoicacid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,thiodi-2,1-ethane;Benzenepropanoicacid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,thiodi-2,1-ethanediylester;diylester;fenozan30;Thiodiethyleneglycolbis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)

Melting Point

78°C

What is the molecular formula of 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester?

The molecular formula is C38H58O6S.

What is the molecular weight of 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester?

The molecular weight is 642.9 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

What is the InChI of 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester?

The InChI is InChI=1S/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.

What is the InChIKey of 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester?

The InChIKey is VFBJXXJYHWLXRM-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.

What is the CAS number of 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester?

The CAS number is 41484-35-9.

What is the UNII of the compound?

The UNII is 6F5OZW34JZ.

What is the XLogP3-AA of 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester?

The XLogP3-AA is 10.4.

How many hydrogen bond donor and acceptor counts does the compound have?

The compound has 2 hydrogen bond donor counts and 7 hydrogen bond acceptor counts.