Dihexadecyl disulfide
Basic information
- CAS
1561-75-7- Standard SMILES
CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC- InChIKey
GUBWMRCVCQFLOJ-UHFFFAOYSA-N- Molecular formula
- C32H66S2
- Average molar mass
- 515 g/mol
- Monoisotopic mass
- 514.46059445
Names & identifiers
- Preferred name
- Dihexadecyl disulfide
- IUPAC
- 1-(hexadecyldisulfanyl)hexadecane
- English name
- dihexadecyl disulphide
- Molecular formula
- C32H66S2
- Molecular weight
- 515
Names & synonyms
Disulfide, dihexadecylDihexadecyl disulfideHexadecyl disulfide1561-75-79GV07UB7SVNSC 823NSC-823EINECS 216-338-9UNII-9GV07UB7SVDTXSID6061783RefChem:133663DTXCID1035028
Show more names
n-HexadecyldisulfideDihexadecyl persulfideDihexadecyl perdisulfideDihexadecyl disulfide 99%Bishexadecyl perdisulfide1-cetyldisulfanylhexadecane1-hexadecyldisulfanylhexadecane
216-338-9GUBWMRCVCQFLOJ-UHFFFAOYSA-NDihexadecyl disulphide1-(Hexadecyldisulfanyl)hexadecaneDihexadecyl disulfide, 99%NSC823SCHEMBL12200541-(Hexadecyldisulfanyl)hexadecane #
Database identifiers
- CAS
1561-75-7- PubChem CID
- 73798
- DTXSID
DTXSID6061783- UNII
- 9GV07UB7SV
- EC Number
- 216-338-9
- Nikkaji
- J32.945B
Properties
Computed structural properties
- XLogP
- 16.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 31
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 53 · 53-56 °C
- Boiling point
- 576.7 · 576.7±19.0 °C(Predicted)
- Density
- 0.88 · 0.880±0.06 g/cm3(Predicted)
- Flash point
- 110 °C · 110 °C
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C32H66S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
- InChIKey
- GUBWMRCVCQFLOJ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC
- FDA UNII
- 9 GV07UB7SV · 9GV07UB7SV
- EPA Substance Registry System
- Disulfide, dihexadecyl (1561-75-7)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
- tsca
- TSCA listed
- 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
Uses & manufacturing
General Manufacturing InformationDisulfide, dihexadecyl: INACTIVE
Suppliers
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Related reactions
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Compound notes
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