Basic information
- Standard SMILES
CCSSCC- InChIKey
CETBSQOFQKLHHZ-UHFFFAOYSA-N- Molecular formula
- C4H10S2
- Average molar mass
- 122.3 g/mol
- Monoisotopic mass
- 122.02239232
Overview
Diethyl disulfide is an organic disulfide.
Names & identifiers
- Preferred name
- Diethyl disulfide
- IUPAC
- (ethyldisulfanyl)ethane
- English name
- Diethyl disulfide
- Molecular formula
- C4H10S2
- Molecular weight
- 122.25
Names & synonyms
DIETHYL DISULFIDE110-81-6Ethyl disulfideDisulfide, diethyl(ethyldisulfanyl)ethaneDiethyl disulphideEthyldithioethane3,4-DithiahexaneEthyl disulphideDiethyldisulfidDiethyldisulfid [Czech]NSC 8839
Show more names
DETC1,2-diethyldisulfaneSODIUM N,N-DIETHYLDITHIOCARBAMATE TRIHYDRATEDIETHYLDISULFANECUPRAL(C2H5S)2JACS-110-81-6
1,1'-dithiodiethaneEINECS 203-805-7X2SFL51MH0AI3-32579Ethyl disulfide (8CI)NSC-8839DIETHYL DISULFIDE [FHFI]DTXSID3051464
Database identifiers
- CAS
110-81-6- PubChem CID
- 8077
- DTXSID
DTXSID3051464- ChEBI
CHEBI:179050- UNII
- X2SFL51MH0
- EC Number
- 203-805-7
- Nikkaji
- J5.101B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 17.5
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.990-0.996
Flavoring AgentsEU Flavoring substances
Solubility
0.3 mg/mL at 25 °C
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point
152.00 °C. @ 760.00 mm Hg
151-152 °C
Melting Point-101.5 °C
Vapor Pressure4.28 [mmHg]
Refractive Index1.502-1.508
Physical Description
Light yellow liquid with a stench; [Sigma-Aldrich MSDS]
Liquid
Colourless to yellowish liquid; Onion/cabbage odour
Physicochemical properties
- Melting point
- 95 · 95-98.5 °C(lit.)
- Boiling point
- 151 · 151-153 °C (lit.)
- Density
- 0.993 g/mL · 0.993 g/mL at 25 °C (lit.)
- vapor density
- 5.9 · 5.9 (vs air)
- vapor pressure
- 5.7 hPa · 5.7 hPa (25 °C)
- FEMA
- 4093 · 4093 | DIETHYL DISULFIDE
- refractive index
- 20 · n20/D 1.506(lit.)
- FLAVIS Number
- 12.012 · 12.012 | Diethyl disulfide
- Flash point
- 104 °F · 104 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: passes test
- form
- liquid
- color
- Colorless to Light yellow to Light orange
- Odor
- 0.1 % · at 0.10 % in triacetin. gassy ripe onion greasy garlic
- Odor Type
- alliaceous
- Odor Threshold
- 0.002 ppm · 0.002ppm
- biological source
- synthetic
- Water Solubility
- Soluble in water.
- Specific Heat Capacity
- 1.67 J/ · Cp(liquid): 1.67 J/(g·K), at 25℃
- JECFA Number
- 1699 · 1699
- BRN
- 1098273 · 1098273
- Henry's Law Constant
- 3.7 · 3.7×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- Dielectric constant
- 18.9 · 18.9(19℃)
- Major Application
- flavors and fragrances
- InChI
- 1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
- InChIKey
- CETBSQOFQKLHHZ-UHFFFAOYSA-N
- SMILES
- CCSSCC
- LogP
- 2.86 · 2.86
- CAS DataBase Reference
- 110 · 110-81-6(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- DIETHYL DISULFIDE
- FDA UNII
- 2 SFL51MH0 · X2SFL51MH0
- NIST Chemistry Reference
- Disulfide, diethyl(110-81-6)
- EPA Substance Registry System
- Diethyl disulfide (110-81-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-38-41-36/37/38-10
- Safety Statements
- 26 · 26-39-37/39-16-36
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 1925000 · JO1925000
- TSCA
- TSCA listed
- HS Code
- 2930 · 2930 90 98
- HazardClass
- 3 · 3
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 2030 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 164 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: Disulfide, diethyl
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20037
Ethyl disulphide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and moderate eye irritant; Causes changes in brain weight and weight loss in 10-day intermittent inhalation studies of rats; [RTECS] Safe when used as a flavoring agent in food; [EFSA] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Dimethyl disulfide.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JO1925000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2930 90 98
- Toxicity
- LD50 orally in Rabbit: 2030 mg/kg
- risk_code
- 22-38-41-36/37/38-10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-39-37/39-16-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationDisulfide, diethyl: ACTIVE
Applications
UsesDiethyl sulfide is used as a solvent for anhydrous minerals and in plating baths for gold and silver
Upstream & downstream products
Upstream raw materials
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]
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Additional notes
DefinitionChEBI: Diethyl disulfide is an organic disulfide.
Related reactions
71 records
Linked notes
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