Dimethyl diselenide
Basic information
- CAS
7101-31-7- Standard SMILES
C[Se][Se]C- InChIKey
VLXBWPOEOIIREY-UHFFFAOYSA-N- Molecular formula
- C2H6Se2
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 189.87999
Overview
Dimethyl diselenide is an organoselenium compound that is diselane covalently bound to two methyl groups. It has been detected in onion-family vegetables and soft-necked garlics. It induces ER stress and toxic protein aggregation in the budding yeast, S. cerevisiae and used as a reagent to identify distonic radical cations. It has a role as a mammalian metabolite, a plant metabolite, a human xenobiotic metabolite and a bacterial metabolite.
Names & identifiers
- Preferred name
- Dimethyl diselenide
- IUPAC
- (methyldiselanyl)methane
- English name
- Dimethyldiselenide
- Molecular formula
- C2H6Se2
- Molecular weight
- 188.01
Names & synonyms
DimethyldiselenideDIMETHYL DISELENIDE7101-31-7Methyl diselenide(methyldiselanyl)methaneAH7TJ8228UCHEBI:176517DTXSID40221237RefChem:134237DTXCID40143728230-410-7Diselenide, dimethyl
Show more names
DimethyldiseleniumDimethyl perselenideDimethylDiselenide>Dimethyl perdiselenide
dimethyldiselane(CH3Se)2Diselenobismethane1,2-DimethyldiselaneMFCD00008254EINECS 230-410-7UNII-AH7TJ8228UC2H6Se2
Database identifiers
- CAS
7101-31-7- PubChem CID
- 23496
- DTXSID
DTXSID40221237- ChEBI
CHEBI:176517- UNII
- AH7TJ8228U
- EC Number
- 230-410-7
- Nikkaji
- J151.318D
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 6
Experimental & physicochemical properties
Solubility0.1 mg/mL at 25 °C
Physicochemical properties
- Melting point
- -82.2 °C · -82.2 °C
- Boiling point
- 155 · 155-157 °C (lit.)
- Density
- 1.987 g/mL · 1.987 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.6388(lit.)
- Flash point
- 140 °F · 140 °F
- storage temp.
- 0 · 0-6°C
- form
- liquid
- color
- Light yellow to Brown
- Water Solubility
- Reacts with water.
- Sensitive
- Air & Moisture Sensitive
- Henry's Law Constant
- 1.4 · 1.4×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Exposure limits
- 0.2 mg/m3NIOSH: · ACGIH: TWA 0.2 mg/m3NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
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
Danger
H226 (91.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P316, P319, P321, P330, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (91.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2929 6.1/PG 2
- hs_code
- 2931.90.9051
- risk_code
- 23/24/25-50/53-33-23/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08,GHS09
- hazard_code
- T,N
- safety_code
- 23-36/37/39-45-61-60-28A-20/21-28
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H301+H331-H373-H410
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Flam. Liq. 3STOT RE 2
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesDimethyl diselenide is a powerful reagent used for identification of distonic radical cations
General DescriptionDimethyl diselenide is a volatile selenium species and its determination in biological samples by HPLC-inductively coupled argon plasma mass spectrometry was reported. Selenium alkylation with dimethyl diselenide was reported by solid-phase microextraction gas chromatography-mass spectrometry.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Dimethyl diselenide is an organoselenium compound that is diselane covalently bound to two methyl groups. It has been detected in onion-family vegetables and soft-necked garlics. It induces ER stress and toxic protein aggregation in the budding yeast, S. cerevisiae and used as a reagent to identify distonic radical cations. It has a role as a bacterial metabolite, a mammalian metabolite, a plant metabolite and a human xenobiotic metabolite.
Related reactions
1 records
Compound notes
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