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Dibutyl xanthogen disulfide

HCID 66926
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Basic information

CAS
105-77-1
Standard SMILES
CCCCOC(=S)SSC(=S)OCCCC
InChIKey
QCAZHHXMIVSLMW-UHFFFAOYSA-N
Molecular formula
C10H18O2S4
Average molar mass
298.5 g/mol
Monoisotopic mass
298.01896451

Names & identifiers

Preferred name
Dibutyl xanthogen disulfide
IUPAC
O-butyl (butoxycarbothioyldisulfanyl)methanethioate
English name
Dibutyl xanthogen disulfide
Molecular formula
C10H18O2S4
Molecular weight
298.51

Names & synonyms

Dibutyl xanthogen disulfideBis-butylxanthogenButylxanthic disulfide105-77-1Dibutyl dixanthogenDibutylxanthogenDibutyl thioperoxydicarbonateDibutyl dixanthogenateCPB (ester)butyl dixanthateXanthogen, bisbutyl-Di-n-Butyl xanthogen disulfide
Show more names
Accelerant CPBBisbutylxanthogenDI BUTYL XANTHOGEN DISULFIDEDi-n-butyl xanthate disulfideBis(butoxycarbonothioyl) persulfide
Di(butoxythiocarbonyl) disulfideDithiobis(thionoformic acid) dibutyl esterNSC 5239EINECS 203-330-5BRN 1792348Formic acid, dithiobis(thio-, O,O-dibutyl esterI1ZZ3T6L59ACCELERATOR CPB

Database identifiers

CAS
105-77-1
PubChem CID
66926
DTXSID
DTXSID0059320
ChEMBL
CHEMBL332367
UNII
I1ZZ3T6L59
EC Number
203-330-5
Nikkaji
J59.653A

Properties

Computed structural properties

XLogP
5
Topological polar surface area
133 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
16
Formal charge
0
Complexity
187

Experimental & physicochemical properties

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physicochemical properties

Boiling point
409.91 °C · 409.91°C (rough estimate)
Density
1.3877 · 1.3877 (rough estimate)
refractive index
1.5341 · 1.5341 (estimate)
Indirect Additives used in Food Contact Substances
DIBUTYL XANTHOGEN DISULFIDE
FDA 21 CFR
177.26 · 177.2600
FDA UNII
1 ZZ3T6L59 · I1ZZ3T6L59
EPA Substance Registry System
2 S2), · Thioperoxydicarbonic acid ([(HO)C(S)]2S2), dibutyl ester (105-77-1)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Thioperoxydicarbonic acid ([(HO)C(S)]2S2), dibutyl ester
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed
Toxicity
LD50 oral in mouse: 2700mg/kg
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationThioperoxydicarbonic acid ([(HO)C(S)]2S2), C,C'-dibutyl ester: ACTIVE

Applications

UsesDibutyl xanthogen disulfide is used in super accelerator used for natural latex, styrene-butadiene latex, natural rubber, styrene-butadiene rubber, and reclaimed rubber.

Upstream & downstream products

Upstream raw materials

Hydrogen peroxideAcetic acidPotassium n-butylaxanthatePotassium hydroxideCarbon disulfide1-Butanol

Related reactions

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Compound notes

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TSCA
TSCA listed
Toxicity
50 oral · LD50 oral in mouse: 2700mg/kg