Oxirane-d4
Basic information
- CAS
6552-57-4- Standard SMILES
[2H]C1([2H])OC1([2H])[2H]- InChIKey
IAYPIBMASNFSPL-LNLMKGTHSA-N- Molecular formula
- C2H4O
- Average molar mass
- 48.08 g/mol
- Monoisotopic mass
- 48.05132173
Names & identifiers
- Preferred name
- Oxirane-d4
- IUPAC
- 2,2,3,3-tetradeuteriooxirane
- English name
- ETHYLENE-D4 OXIDE
- Molecular formula
- C2D4O
- Molecular weight
- 48.08
Names & synonyms
Oxirane-d4RefChem:8577316552-57-42,2,3,3-tetradeuteriooxiranetetradeuterio-oxirane(~2~H_4_)OxiraneSCHEMBL9789404DTXSID60984115IAYPIBMASNFSPL-LNLMKGTHSA-NOXIRANE-2,2,3,3-D4AKOS015912678Ethylene-d4 oxide, >=98 atom % D, >=99% (CP), contains hydroquinone as stabilizer
Show more names
(2H4)OxiraneEpoxy ethane-d4ETHYLENE-D4 OXIDETetradeuterooxirane(2H4)Ethylene oxideETHYLENE OXIDE (D4)Ethylene-D4 Oxide (gas)Deuterated ethylene oxideEthylene-d4 oxide
Database identifiers
- CAS
6552-57-4- PubChem CID
- 138762
- DTXSID
DTXSID60984115- EC Number
- 687-218-5
- Nikkaji
- J375.133C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 10.3
Physicochemical properties
- Melting point
- -111 °C · -111 °C(lit.)
- Boiling point
- 10.7 °C · 10.7 °C(lit.)
- Density
- 0.896 g/mL · 0.896 g/mL at 25 °C
- vapor density
- 1.52 · 1.52 (vs air)
- Flash point
- -20 °C · -20°C
- Major Application
- environmental
- InChI
- 1S/C2H4O/c1-2-3-1/h1-2H2/i1D2,2D2
- InChIKey
- IAYPIBMASNFSPL-LNLMKGTHSA-N
- SMILES
- [2H]C1([2H])OC1([2H])[2H]
- UNSPSC Code
- 12352119 · 12352119
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 75 · 75-21-8
- Symbol(GHS)
- 2 · GHS02,GHS04,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 220 · H220-H280-H315-H319-H331-H335-H340-H350
- Precautionary statements
- 201 · P201-P210-P261-P305+P351+P338-P311-P410+P403
- target organs
- Central nervous system, Nervous system, Respiratory system
- Hazard Codes
- F+,T
- Risk Statements
- 45 · 45-46-12-23-36/37/38
- Safety Statements
- 53 · 53-45-16
- RIDADR
- 1040 · UN 1040 2.3
- WGK Germany
- 3 · 3
- Hazard Classifications
- 3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BChem. Unst. Gas AEye Dam. 1Flam. Gas 1AMuta. 1BPress. Gas Liquefied gasRepr. 1BSkin Corr. 1BSTOT RE 1STOT SE 3
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
H220 (100%): Extremely flammable gas [Danger Flammable gases]
P203, P210, P222, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P337+P317, P377, P381, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationOxirane-d4: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Gas 1 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1040 2.3
- risk_code
- 45-46-12-23-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS04,GHS06,GHS08
- hazard_code
- F+,T
- safety_code
- 53-45-16
- target organs
- Central nervous system, Nervous system, Respiratory system
- Hazard statements
- H220-H280-H315-H319-H331-H335-H340-H350
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BChem. Unst. Gas AEye Dam. 1Flam. Gas 1AMuta. 1BPress. Gas Liquefied gasRepr. 1BSkin Corr. 1BSTOT RE 1STOT SE 3
- Precautionary statements
- P201-P210-P261-P305+P351+P338-P311-P410+P403
Chemistry & industry
Applications
UsesOxirane-d4 is the labeled compound of O846980, which is a colourless and highly flammable compound and used for large-scale chemical synthesis of ethylene glycols, polyester, and polyethylene terephthalate. Oxirane is also used as a disinfectant.
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Compound notes
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