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Merck
CN

B0383

Benzil

Synonym(s):

Dibenzoyl, Diphenylethanedione

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About This Item

Linear Formula:
C6H5COCOC6H5
CAS Number:
134-81-6
Molecular Weight:
210.23
EC Number:
205-157-0
UNSPSC Code:
12352100
PubChem Substance ID:
24891516
Beilstein/REAXYS Number:
608047
MDL number:
MFCD00003080

Key Documents

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InChI key

WURBFLDFSFBTLW-UHFFFAOYSA-N

InChI

1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H

SMILES string

O=C(c1ccccc1)C(=O)c2ccccc2

vapor pressure

1 mmHg ( 128.4 °C)

mp

94-95 °C (lit.)

Gene Information

human ... ACHE(43), BCHE(590), CES1(1066)

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

356.0 °F - closed cup

flash_point_c

180 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
048K1908
087K2607
127K2565
122K2557
090K2509

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Craig E Wheelock et al.
Bioorganic & medicinal chemistry, 16(4), 2114-2130 (2007-11-21)
Carboxylesterases metabolize numerous exogenous and endogenous ester-containing compounds including the chemotherapeutic agent CPT-11, anti-influenza viral agent oseltamivir, and many agrochemicals. Trifluoromethyl ketone (TFK)-containing compounds with a sulfur atom beta to the ketone moiety are some of the most potent carboxylesterase
Janice L Hyatt et al.
Journal of medicinal chemistry, 48(17), 5543-5550 (2005-08-19)
Benzil has been identified as a potent selective inhibitor of carboxylesterases (CEs). Essential components of the molecule required for inhibitory activity include the dione moiety and the benzene rings, and substitution within the rings affords increased selectivity toward CEs from
Latorya D Hicks et al.
Bioorganic & medicinal chemistry, 15(11), 3801-3817 (2007-04-03)
We have synthesized and assessed the ability of symmetrical fluorobenzoins and fluorobenzils to inhibit mammalian carboxylesterases (CE). The majority of the latter were excellent inhibitors of CEs however unexpectedly, the fluorobenzoins were very good enzyme inhibitors. Positive correlations were seen
Elizabeth I Parkinson et al.
Bioorganic & medicinal chemistry, 19(15), 4635-4643 (2011-07-08)
Carboxylesterases (CE) are ubiquitous enzymes found in both human and animal tissues and are responsible for the metabolism of xenobiotics. This includes numerous natural products, as well as a many clinically used drugs. Hence, the activity of these agents is
Janice L Hyatt et al.
Journal of medicinal chemistry, 50(23), 5727-5734 (2007-10-19)
Carboxylesterases (CE) are ubiquitous enzymes responsible for the detoxification of xenobiotics, including numerous clinically used drugs. Therefore, the selective inhibition of these proteins may prove useful in modulating drug half-life and bioavailability. Recently, we identified 1,2-diones as potent inhibitors of
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