Ethanol-2,2,2-d3
Basic information
- CAS
1759-87-1- Standard SMILES
[2H]C([2H])([2H])CO- InChIKey
LFQSCWFLJHTTHZ-FIBGUPNXSA-N- Molecular formula
- C2H6O
- Average molar mass
- 49.09 g/mol
- Monoisotopic mass
- 49.06069505
Names & identifiers
- Preferred name
- Ethanol-2,2,2-d3
- IUPAC
- 2,2,2-trideuterioethanol
- English name
- ETHYL-2,2,2-D3 ALCOHOL
- Molecular formula
- C2H3D3O
- Molecular weight
- 49.09
Names & synonyms
1759-87-1Ethanol-2,2,2-d3DTXSID60334030RefChem:340955DTXCID70285120Ethyl-2,2,2-d3 alcohol2,2,2-trideuterioethanolEthyl alcohol-2,2,2-d3C2H3D3Oethan-2,2,2-d3-1-olSCHEMBL1332042SCHEMBL28861155
Show more names
ETHANOL-D3Ethyl--d3 AlcoholEthan-2,2,2-d3-ol(2,2,2-2H3)EthanolETHANOL (METHYL-D3)ACETONE-D6(D,99.8%)Ethanol-d3 99.5atom%D
(2,2,2-~2~H_3_)EthanolAKOS015910285Ethanol-2,2,2-d3, 99 atom % DETHANOL (METHYL-D3, 98%) (CS-23361D99174
Database identifiers
- CAS
1759-87-1- PubChem CID
- 519451
- DTXSID
DTXSID60334030- EC Number
- 693-203-4
- Nikkaji
- J208.491K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2.8
Physicochemical properties
- Boiling point
- 78 °C · 78 °C (lit.)
- Density
- 0.835 g/mL · 0.835 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.3611(lit.)
- Flash point
- 48 °F · 48 °F
- form
- liquid
- InChI
- 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3
- InChIKey
- LFQSCWFLJHTTHZ-FIBGUPNXSA-N
- SMILES
- [2H]C([2H])([2H])CO
- UNSPSC Code
- 12142201 · 12142201
- NACRES
- 21 · NA.21
- CAS Number Unlabeled
- 64 · 64-17-5
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P303+P361+P353
- Hazard Codes
- F
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+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 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 CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1170 3/PG 2
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F
- safety_code
- 7-16
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H315-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P233-P240-P241-P242-P303+P361+P353
Chemistry & industry
Applications
UsesEthyl-2,2,2-d3 Alcohol: Most ethyl alcohols are used in alcoholic beverages in suitable dilutions. Other uses are as solvents in laboratory and industry , in the manufacture of denatured alcohol, pharmaceuticals, in perfumery, in organic synthesis. Used as antiseptic.
General DescriptionEthanol-2,2,2-d3 is an isotope-labeled analog of ethanol, wherein methyl protons are replaced by deuterium.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…