Undecyl disulfide
Basic information
- CAS
79458-27-8- Standard SMILES
CCCCCCCCCCCSSCCCCCCCCCCC- InChIKey
BMMUJKMHJWGHJA-UHFFFAOYSA-N- Molecular formula
- C22H46S2
- Average molar mass
- 374.7 g/mol
- Monoisotopic mass
- 374.30409381
Names & identifiers
- Preferred name
- Undecyl disulfide
- IUPAC
- 1-(undecyldisulfanyl)undecane
- English name
- Di-n-undecyldisulphide
- Molecular formula
- C22H46S2
- Molecular weight
- 374.73
Names & synonyms
Undecyl disulfide79458-27-8DTXSID50303553RefChem:193112DTXCID80254685635-988-8BMMUJKMHJWGHJA-UHFFFAOYSA-N1-(Undecyldisulfanyl)undecaneDiundecyl disulfide1,2-Diundecyldisulfanedi-n-undecyldisulphideNSC677486
Show more names
Disulfide, diundecylDiundecyl disulfide 99%
DIUNDECYL DISULFIDE;DI-N-UNDECYLDISULPHIDE1-(Undecyldithio)undecaneDiundecyl disulfide, 99%SCHEMBL8674811-(Undecyldisulfanyl)undecane #NSC159035NSC-159035NSC-677486
Database identifiers
- CAS
79458-27-8- PubChem CID
- 292852
- DTXSID
DTXSID50303553- EC Number
- 635-988-8
- Nikkaji
- J97.236C
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 31 · 31-35 °C
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C22H46S2/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
- InChIKey
- BMMUJKMHJWGHJA-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCSSCCCCCCCCCCC
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3335
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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