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Merck
CN

38229

3-Mercapto-3-methylbutyl formate

analytical standard

Synonym(s):

3-Mercapto-3-methyl-1-butyl-1-formate, Formic acid 3-mercapto-3-methylbutyl ester

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About This Item

Empirical Formula (Hill Notation):
C6H12O2S
CAS Number:
50746-10-6
Molecular Weight:
148.22
NACRES:
NA.24
PubChem Substance ID:
329755753
UNSPSC Code:
85151701
MDL number:
MFCD08457872

Key Documents

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InChI

1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3

SMILES string

CC(C)(S)CCOC=O

InChI key

VTAPYUYITKYXJB-UHFFFAOYSA-N

grade

analytical standard

assay

≥97.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.460-1.462

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

storage temp.

2-8°C

Quality Level

100

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Analysis Note

may contain ≤2.0% THF

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

171.5 °F

flash_point_c

77.5 °C

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH1983
BCCC1837
BCBV5334
BCBQ9449V

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