416886
Acetic acid-d4
≥99.5 atom % D, contains 0.03 % (v/v) TMS
Synonym(s):
Acetic-d3 acid-d, Tetradeuteroacetic acid
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About This Item
Linear Formula:
CD3CO2D
CAS Number:
Molecular Weight:
64.08
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
214-693-4
Beilstein/REAXYS Number:
1748971
MDL number:
Assay:
≥99.00%
Form:
liquid
vapor density
2.07 (vs air)
Quality Segment
vapor pressure
11.4 mmHg ( 20 °C)
isotopic purity
≥99.5 atom % D
assay
≥99.00%
form
liquid
autoignition temp.
800 °F
contains
0.03 % (v/v) TMS
expl. lim.
16 %
technique(s)
NMR: suitable
impurities
≤0.0500% water
water
refractive index
n20/D 1.368 (lit.)
bp
115.5 °C (lit.)
mp
15-16 °C (lit.)
density
1.119 g/mL at 25 °C (lit.)
mass shift
M+4
SMILES string
[2H]OC(=O)C([2H])([2H])[2H]
InChI
1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
InChI key
QTBSBXVTEAMEQO-GUEYOVJQSA-N
General description
Acetic acid-d4 (deuterated acetic acid) is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its dissociation constant in deuterium oxide has been obtained over a range of temperature by emf method.
Application
Acetic acid-d4 may be used in the synthesis of deuterated (7E, 9Z) CLA (conjugated linoleic acid).
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signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1A
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
104.0 °F - closed cup
flash_point_c
40 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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