Dioctyl sulfide

HCID 75901CAS 2690-08-6

Basic information

Standard SMILES
CCCCCCCCSCCCCCCCC
InChIKey
LOXRGHGHQYWXJK-UHFFFAOYSA-N
Molecular formula
C16H34S
Average molar mass
258.5 g/mol
Monoisotopic mass
258.23812226

Names & identifiers

Preferred name
Dioctyl sulfide
IUPAC
1-octylsulfanyloctane
English name
DI-N-OCTYL SULFIDE
Molecular formula
C16H34S
Molecular weight
258.51

Names & synonyms

Dioctyl sulfideDi-n-octyl sulfide2690-08-6Octane, 1,1'-thiobis-Octyl sulfideDioctyl thioether9-ThiaheptadecaneDioctyl sulphide1-(1-Octylthio)octaneKWB0X6Z9EGDi-n-octyl thioetherBis(1-octyl) sulfide
Show more names
N-OCTYL SULFIDEdioctylsulfideDioctylsulfanen-Octyl sulphideDIOCTYLSULFID 96%
NSC 65459NSC-65459Octyl sulfide (8CI)EINECS 220-259-5AI3-12172DTXSID10625949ThiaheptadecaneDinormal octyl sulfide

Database identifiers

CAS
2690-08-6
PubChem CID
75901
DTXSID
DTXSID1062594
ChEMBL
CHEMBL2398216
UNII
KWB0X6Z9EG
EC Number
220-259-5
Nikkaji
J97.166I

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
14
Heavy atoms
17

Experimental & physicochemical properties

Physical DescriptionColorless liquid with a mild odor; [Chevron Phillips MSDS]
Kovats Retention Index · 2 items

1885;1875;1892;1838;1866.9;1885

2048

Physicochemical properties

Melting point
-1 °C · -1°C
Boiling point
180 °C10 · 180 °C10 mm Hg(lit.)
Density
0.842 g/mL · 0.842 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.462(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C, stored under nitrogen

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.7% (2 of 54) of reports.

Danger

H318 (72.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H412 (14.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 54 reports by companies.;There are 4 notifications provided by 52 of 54 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Octane, 1,1'-thiobis-
Hazards Summary · 1 item

May cause irritation or injury to skin (pain, swelling, and blistering) and eyes (impaired vision), depending on severity of exposure and speed of treatment; Harmful by ingestion (may cause lung damage by aspiration); [Chevron Phillips MSDS] See Diethyl sulfide.

Hazard Classes and CategoriesEye Dam. 1 (72.2%);Eye Irrit. 2 (24.1%);Aquatic Chronic 3 (14.8%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Regulatory information

Regulatory InformationChemical: Octane, 1,1'-thiobis-

Safety data

F
13
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
2930.90.9250
risk_code
41

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a mineral collector; [Chevron Phillips MSDS]

Mining [Category: Industry]

General Manufacturing InformationOctane, 1,1'-thiobis-: ACTIVE

Applications

UsesIt is employed as a pharmaceutical intermediate.

Upstream & downstream products

Suppliers50 total

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

2 records

Linked notes

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