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158563-27-0

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158563-27-0 Structure

158563-27-0 Structure
IdentificationBack Directory
[Name]

HEXADECANE-1,2-13C2
[CAS]

158563-27-0
[Synonyms]

Cetane-1,2-13C2
HEXADECANE-1,2-13C2
13C Labeled hexadecane
HEXADECANE-1,2-13C2, 99 ATOM % 13C
[Molecular Formula]

C16H34
[MDL Number]

MFCD01075603
[MOL File]

158563-27-0.mol
[Molecular Weight]

228.46
Chemical PropertiesBack Directory
[Melting point ]

18 °C (lit.)
[Boiling point ]

287 °C (lit.)
[density ]

0.780 g/mL at 25 °C
[refractive index ]

n20/D 1.434(lit.)
[Fp ]

275 °F
[InChI]

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/i1+1,3+1
[InChIKey]

DCAYPVUWAIABOU-ZKDXJZICSA-N
[SMILES]

CCCCCCCCCCCCCC[13CH2][13CH3]
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H315-H318
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

34
[Safety Statements ]

26-27-36/37/39-45
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Asp. Tox. 1
Hazard InformationBack Directory
[Uses]

Hexadecane-1,2-13C2 is the 13C labeled Hexadecane[1].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. DOI:10.1177/1060028018797110
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