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151777

Sigma-Aldrich

Acetic acid-d

99 atom % D

Synonym(s):

mono-Deuteroacetic acid, Acetic (acid-d), Monodeuteroacetic acid

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About This Item

Linear Formula:
CH3COOD
CAS Number:
758-12-3
Molecular Weight:
61.06
Beilstein:
1739249
EC Number:
212-059-1
MDL number:
MFCD00051050
UNSPSC Code:
12142201
PubChem Substance ID:
24849163
NACRES:
NA.21

vapor density

2.07 (vs air)

vapor pressure

11.4 mmHg

isotopic purity

99 atom % D

Assay

99% (CP)

form

liquid

expl. lim.

4-19.9 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.50% water
water

bp

116-117 °C (lit.)

mp

15-16 °C (lit.)

density

1.059 g/cm3 at 25 °C

mass shift

M+1

SMILES string

[2H]OC(C)=O

InChI

1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i/hD

InChI key

QTBSBXVTEAMEQO-DYCDLGHISA-N

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General description

Acetic acid-d (Monodeuteroacetic acid) is the monodeuterated form of acetic acid, in which the hydrogen atom of hydroxyl group has been replaced by deuterium (D). Infrared spectral studies of its vapors at 150°C in the range of 2-25μ have been reported.

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Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H226,H314

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1A

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

104.0 °F - closed cup

Flash Point(C)

40 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Infrared Investigation of Acetic Acid and Acetic Acid-d Vapors and a Vibrational Assignment for the Monomeric Acids.
Wilmshurst JK.
J. Chem. Phys. , 25(6), 1171-1173 (1956)
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We report a method for expressing the solvent accessibility of histidine imidazole groups in proteins. The method is based on measuring the rate of the hydrogen exchange (HX) reaction of the imidazole C(ε1)-hydrogen. The rate profile of the HX reaction
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