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Acetic acid-d - (D,99.0%), high purity , CAS No.758-12-3

COA

Grade & Purity:

≥99 atom% D

Cas Number: 758-12-3
Molecular Weight: 61.06
Beilstein Registry Number: 1739249
EC Number: 212-059-1
MDL number: MFCD00051050
PubChem CID: 2723902

In stock

Item Number

A140018

Grouped product items
SKU	Size	Availability	Price
A140018-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
A140018-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
A140018-10g	10g	2	$26.90
A140018-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
A140018-50g	50g	2	$102.90
A140018-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$134.90
A140018-250g	250g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$267.90

Basic Description

Synonyms	ACETIC ACID-D \| 758-12-3 \| deuterio acetate \| Acetic acid-d1 \| Acetic(2H)acid \| Acetic (2H)acid \| Monodeuteroacetic Acid \| EINECS 212-059-1 \| MFCD00051050 \| Acetic (acid-d) \| ethan(?H)oic acid \| CH3COOD \| (O-~2~H)Acetic acid \| Acetic acid-d, 99 atom % D \| DTXSID70997190 \| AKOS01589295
Specifications & Purity	≥99 atom% D
Storage Temp	Argon charged
Shipped In	Normal
Product 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(Monodeuteroacetic acid) is the monodeuterated form of acetic acid, in which the hydrogen atom of hydroxyl group has been replaced by deuterium (D).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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	deuterio acetate
INCHI	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i/hD
InChIKey	QTBSBXVTEAMEQO-DYCDLGHISA-N
Smiles	CC(=O)O
Isomeric SMILES	[2H]OC(=O)C
WGK Germany	3
UN Number	2789
Packing Group	II
Molecular Weight	61.06
Beilstein	1739249
Reaxy-Rn	506007
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506007&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
E2421039	Certificate of Analysis	Nov 22, 2022	A140018
L2206120	Certificate of Analysis	Nov 22, 2022	A140018
F2526024	Certificate of Analysis	Nov 22, 2022	A140018
L2206119	Certificate of Analysis	Nov 22, 2022	A140018
L2206118	Certificate of Analysis	Nov 22, 2022	A140018
B2209139	Certificate of Analysis	Jan 11, 2022	A140018
B2209144	Certificate of Analysis	Jan 11, 2022	A140018

Chemical and Physical Properties

Sensitivity	Hygroscopic
Flash Point(°F)	104°F
Flash Point(°C)	40 °C
Boil Point(°C)	116-117℃
Melt Point(°C)	15-16℃
Molecular Weight	61.060 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	61.0274 Da
Monoisotopic Mass	61.0274 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	31.000
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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