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Key Documents

W421001

Sigma-Aldrich

Thioacetic acid

96%

Synonym(s):

Thiacetic acid

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About This Item

Linear Formula:
CH3COSH
CAS Number:
Molecular Weight:
76.12
FEMA Number:
4210
Beilstein:
1733298
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.199
NACRES:
NA.21

biological source

synthetic

Quality Level

Assay

96%

refractive index

n20/D 1.465 (lit.)

bp

88-91.5 °C (lit.)

density

1.065 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

meaty; roasted

SMILES string

CC(S)=O

InChI

1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)

InChI key

DUYAAUVXQSMXQP-UHFFFAOYSA-N

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Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Dam. 1 - Flam. Liq. 2 - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

64.4 °F - closed cup

Flash Point(C)

18 °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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Ning Shangguan et al.
Journal of the American Chemical Society, 125(26), 7754-7755 (2003-06-26)
A new amide synthesis strategy based on a fundamental mechanistic revision of the reaction of thio acids and organic azides is presented. The data demonstrate that amines are not formed as intermediates in this reaction. Alternative mechanisms proceeding through a
Md Ashraful Hoque et al.
Bioorganic & medicinal chemistry letters, 22(21), 6770-6772 (2012-10-02)
Two thioacetate tails were introduced to the chlamydocin- and CHAP31-related cyclic tetrapeptides. An intramolecular disulfide bridge could be formed in the CHAP31-related cyclic peptides. Both the thioacetate-tailed and disulfide-bridged peptides were potent histone deacetylase inhibitors in the presence of sulfhydryl
Sonia E Ulic et al.
The journal of physical chemistry. A, 112(27), 6211-6216 (2008-06-13)
Trifluorothioacetic acid-S-(trifluoromethyl)ester, CF3C(O)SCF3, was prepared by reacting CF3C(O)Cl and AgSCF3 at 50 degrees C. The compound was characterized by (13)C-, (19)F-NMR, UV, and vibrational spectroscopy as well as by gas electron diffraction (GED) and quantum chemical calculations (HF, MP2, and
Brian C Smith et al.
Biochemistry, 46(50), 14478-14486 (2007-11-22)
Sir2 protein deacetylases (or sirtuins) catalyze NAD+-dependent conversion of epsilon-amino-acetylated lysine residues to deacetylated lysine, nicotinamide, and 2'-O-acetyl-ADP-ribose. Small-molecule modulation of sirtuin activity might treat age-associated diseases, such as type II diabetes, obesity, and neurodegenerative disorders. Here, we have evaluated
Krista M Wager et al.
Organic letters, 13(15), 4052-4055 (2011-07-07)
A method for preparing benzyl aryl thioethers utilizing an in situ deprotection of benzyl thioacetates as an alternative to free thiols as starting materials has been developed and optimized. Good to excellent yields of diverse benzyl aryl thioethers are obtained

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