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53001-22-2

53001-22-2 Structure

53001-22-2 Structure
IdentificationBack Directory
[Name]

TERT-BUTANOL-D10
[CAS]

53001-22-2
[Synonyms]

tBu-OH,d10
TERT-BUTANOL-D10
TERT-BUTYL ALCOHOL-D10
2-METHYL-2-PROPANOL-D10
tert-Butanol-d10, for NMR
(2H10)-2-methylpropan-2-ol
(2H10)(2-Methyl-2-propanol)
TERT-BUTANOL-D10 99 ATOM % D
TERT-BUTANOL-D10, 98%, FOR NMR
2-METHYL-2-PROPANOL-D10, 99+ ATOM % D
2-(2H3)Methyl(O,1,1,1,3,3,3-2H7)-2-propanol
2-[(2H3)Methyl]-(1,1,1,3,3,3,O-2H7)-2-propanol
2-(2H3)Methyl(1,1,1,3,3,3-2H6)propane-2-(2H)ol
2-(2H3)Methyl-(1,1,1,3,3,3-2H6,O-2H)-2-propanol
2-[(2H3)Methyl](1,1,1,3,3,3-2H6)propane-2-(2H)ol
2-Methyl-2-propanol-d10, tert-Butyl alcohol-d10
[EINECS(EC#)]

258-288-0
[Molecular Formula]

C4D10O
[MDL Number]

MFCD00064244
[MOL File]

53001-22-2.mol
[Molecular Weight]

84.18
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

82 °C(lit.)
[density ]

0.893 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.3835(lit.)
[Fp ]

52 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform (Soluble), Methanol (Slightly)
[form ]

Liquid
[color ]

Colourless
[Major Application]

pharmaceutical
[InChI]

InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D
[InChIKey]

DKGAVHZHDRPRBM-SGLLWXCUSA-N
[SMILES]

C(O[2H])(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
[EPA Substance Registry System]

2-Propan-1,1,1,3,3,3-d6-ol-d, 2-(methyl-d3)- (53001-22-2)
[CAS Number Unlabeled]

75-65-0
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

Labeled Tert-butanol intended for use as an internal standard for the quantification of Tert-butanol by GC- or LC-mass spectrometry
[General Description]

tert-Butanol-d10 (tert-Butyl alcohol-d10) is a deuterated derivative of tert-butanol. It participates in the synthesis of cyanoacetic acid-tert-butylester-d9. Conformational analysis of 2,3-dihydroxypropanoic acid in tert-butyl alcohol-d10 indicates the dominance of gauche-hydroxyl rotamers (92%) under low pH conditions.
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-20-36/37
[Safety Statements ]

9-16-46
[RIDADR ]

UN 1120 3/PG 2
[WGK Germany ]

3
[HazardClass ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

TERT-BUTANOL-D10(53001-22-2)Raman
TERT-BUTANOL-D10(53001-22-2)FT-IR
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