Basic information
- CAS
17647-74-4- Standard SMILES
[2H]C1([2H])OC([2H])([2H])C([2H])([2H])OC1([2H])[2H]- InChIKey
RYHBNJHYFVUHQT-SVYQBANQSA-N- Molecular formula
- C4H8O2
- Average molar mass
- 96.15 g/mol
- Monoisotopic mass
- 96.10264346
Names & identifiers
- Preferred name
- 1,4-Dioxane-(2LH8)
- IUPAC
- 2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane
- English name
- 1,4-Dioxane-d8
- Molecular formula
- C4D8O2
- Molecular weight
- 96.15
Names & synonyms
1,4-Dioxane-d817647-74-41,4-Dioxane-(2LH8)EINECS 241-628-71,4-dioxane-[2LH8]DTXSID10938800RefChem:416904DTXCID701367321241-628-71,4-Dioxane-2,2,3,3,5,5,6,6-d82,2,3,3,5,5,6,6-octadeuterio-1,4-dioxaneMFCD00044239
Show more names
P-DIOXANE-D8D8-1,4-Dioxane1,4-DIOXANNE-D8(2H8)1,4-Dioxane(2H8)-1,4-Dioxane1,4-DIOXANE-D8 99%DioxaneD8>99%2x1ml
1,4-Dioxane-d8, 99 atom % DC4D8O2Dioxane D814-Dioxane-d8(?H?)-1,4-dioxane1,4-dioxane-d8 (p-dioxane)orb2299664orb3026113
Database identifiers
- CAS
17647-74-4- PubChem CID
- 87209
- DTXSID
DTXSID10938800- EC Number
- 241-628-7
- Nikkaji
- J236.469G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 26.5
Physicochemical properties
- Melting point
- 12 °C · 12°C
- Boiling point
- 101 · 101,1°C
- Density
- 1.129 g/mL · 1.129 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4198(lit.)
- Flash point
- 54 °F · 54 °F
- storage temp.
- Flammables area
- form
- Liquid
- Specific Gravity
- 1.13 · 1.13
- Solvent Residual Peak
- 1 H · 1H NMR：3.53 ppm (m)13C NMR：66.66 ppm (quint)
- Water Solubility
- Miscible with water.
- Sensitive
- Hygroscopic
- BRN
- 1307286 · 1307286
- Henry's Law Constant
- 2.8 · 2.8×100 mol/(m3Pa) at 25℃, Hiatt (2013)
- InChI
- 1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2
- InChIKey
- RYHBNJHYFVUHQT-SVYQBANQSA-N
- SMILES
- [2H]C1([2H])OC([2H])([2H])C([2H])([2H])OC1([2H])[2H]
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]
P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,4-Dioxan-D8: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 3-10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1165 3/PG 2
- hs_code
- 28459000
- risk_code
- 11-19-36/37-40-39/23/24/25-23/24/25-66
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xn,T
- safety_code
- 16-36/37-45-7-46-9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
Chemistry & industry
Applications
Uses1,4-Dioxane-d{8} is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy and acts as a stabilizer for 1,1,1-trichloroethane.
General Description1,4-Dioxane-d8 is a deuterated derivative of 1,4-dioxane. It has an isotopic purity of 99atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical). It is widely employed as a deuterated standard. It participates as a surrogate standard during the activated carbon SPE (solid-phase extraction) and GC-MS-SIM (gas chromatography-mass spectrometry (GC-MS) in selected ion monitoring (SIM) mode) quantification of 1,4-dioxane in drinking water.
Suppliers57 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
常州市华阳科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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