alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol)

HCID 74184
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1620-93-5
Standard SMILES
CC(C)(C)c1cc(CSCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey
UDFARPRXWMDFQU-UHFFFAOYSA-N
Molecular formula
C30H46O2S
Average molar mass
470.8 g/mol
Monoisotopic mass
470.32185171

Names & identifiers

Preferred name
alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol)
IUPAC
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethyl]phenol
English name
Bis(3,5-di-t-butyl-4-hydroxybenzyl) sulfide
Molecular formula
C30H46O2S
Molecular weight
470.75

Names & synonyms

1620-93-5alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol)Phenol, 4,4'-[thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)-2,6-di-tert-butyl-4-({[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}methyl)phenol2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethyl]phenol4,4'-(Thiobis(methylene))bis(2,6-di-tert-butylphenol)4,4'-[Thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)phenol2,6-Ditert-butyl-4-([(3,5-ditert-butyl-4-hydroxybenzyl)sulfanyl]methyl)phenolEINECS 216-591-5C30H46O2S2,6-ditert-butyl-4-{[(3,5-ditert-butyl-4-hydroxybenzyl)sulfanyl]methyl}phenol4,4'-[sulfanediylbis(methylene)]bis(2,6-di-tert-butylphenol)
Show more names
Bis(3,5-di-t-butyl-4-hydroxybenzyl) sulfideBis-(3,5-di-tert-butyl-4-hydroxybenzyl)-sulfide4,4'-[Thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)phenol]Phenol,4,4’-[thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)-(9Cl)2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]methyl]phenol
SCHEMBL38964DTXSID80167286MFCD00183207AKOS022181593ST029260NS00025295di(3,5-di(t-butyl)-4-hydroxybenzyl) sulphidedi(3,5-di-tert-butyl-4-hydroxybenzyl) sulfide

Database identifiers

CAS
1620-93-5
PubChem CID
74184
DTXSID
DTXSID80167286
EC Number
216-591-5
Nikkaji
J60.274D

Properties

Computed structural properties

XLogP
9.8
Topological polar surface area
65.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
33

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
140 · 140-142 °C
Boiling point
502.8 · 502.8±45.0 °C(Predicted)
Density
1.022 · 1.022±0.06 g/cm3(Predicted)
pka
11.68 · 11.68±0.40(Predicted)
InChI
InChI=1S/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
InChIKey
UDFARPRXWMDFQU-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers9 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Shanghai Tiandui New Material Co., Ltd+86-15921093949 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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