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515353

Sigma-Aldrich

2,3-Dimethylbenzaldehyde

97%

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About This Item

Linear Formula:
(CH3)2C6H3CHO
CAS Number:
5779-93-1
Molecular Weight:
134.18
MDL number:
MFCD00798004
UNSPSC Code:
12352100
PubChem Substance ID:
24873815

assay

97%

refractive index

n20/D 1.553 (lit.)

bp

86-88 °C/10 mmHg (lit.)

density

1.029 g/mL at 25 °C (lit.)

SMILES string

[H]C(=O)c1cccc(C)c1C

InChI

1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3

InChI key

UIFVCPMLQXKEEU-UHFFFAOYSA-N

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Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

215.1 °F - closed cup

flash_point_c

101.70 °C - closed cup

ppe

Eyeshields, Gloves

Certificates of Analysis (COA)

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Maximilian Ackermann et al.
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Dustyn A Barnette et al.
Biochemical pharmacology, 170, 113661-113661 (2019-10-13)
Terbinafine N-dealkylation pathways result in formation of 6,6-dimethyl-2-hepten-4-ynal (TBF-A), a reactive allylic aldehyde, that may initiate idiosyncratic drug-induced liver toxicity. Previously, we reported on the importance of CYP2C19 and 3A4 as major contributors to TBF-A formation. In this study, we

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