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Basic information
- CAS
17252-77-6- Standard SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]- InChIKey
TVMXDCGIABBOFY-VAZJTQEUSA-N- Molecular formula
- C8H18
- Average molar mass
- 132.3418 g/mol
- Monoisotopic mass
- 132.253832
Names & identifiers
- Preferred name
- (2H18)Octane
- IUPAC
- (~2~H_18_)Octane
- English name
- n-Octane-d18
- Molecular formula
- C8D18
- Molecular weight
- 132.34
Names & synonyms
OCTANE-D18D18-OctaneOctane-d??(2H18)octanen-Octane-d18Perdeuterooctanen-Octane-d18,isotopicOctane-d18n-Octane-d18(Isotopic)octadecadeutero-octane
Database identifiers
- CAS
17252-77-6- PubChem CID
- 519375
- DTXSID
DTXSID40169342- EC Number
- 241-285-3
- Nikkaji
- J318.187A
Properties
Physicochemical properties
- Melting point
- -57 °C · -57 °C (lit.)
- Boiling point
- 125 · 125-127 °C
- Density
- 0.815 g/mL · 0.815 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.394(lit.)
- Flash point
- 60 °F · 60 °F
- storage temp.
- Flammables area
- solubility
- 0.0007 g/l · 0.0007g/l
- form
- Liquid
- Specific Gravity
- 0.815 · 0.815
- explosive limit
- 0.8 · 0.8-6.5%(V)
- Stability
- Stable. Highly flammable. Readily forms explosive mixtures with air.
- InChI
- 1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
- InChIKey
- TVMXDCGIABBOFY-VAZJTQEUSA-N
- SMILES
- [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
- UNSPSC Code
- 12142201 · 12142201
- NACRES
- 21 · NA.21
- CAS Number Unlabeled
- 111 · 111-65-9
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H336-H410
- Precautionary statements
- 210 · P210-P273-P301+P310+P331-P302+P352
- target organs
- Central nervous system
- Hazard Codes
Safety & regulation
Safety data
- wgk
- 3
- ridadr
- UN 1262 3/PG 2
- hs_code
- 28459000
- risk_code
- 11-67-65-50/53-38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- F,Xn,N
- safety_code
- 9-16-29-33-62-61-60
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Central nervous system
- Hazard statements
- H225-H304-H315-H336-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P273-P301+P310+P331-P302+P352
Chemistry & industry
Applications
UsesOctane-d18 has been used to evaluate the separation factors of the deuterated octane isomers by gas chromatography (GC).
General DescriptionOctane-d18 is a deuterated NMR solvent. It is useful in NMR-based research and analyses. It can be prepared starting from n-octane. It undergoes H/D (Hydrogen/Deuterium) exchange reaction with mono pinacolboryl complex at 110°C.
Suppliers35 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[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]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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