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Safety Information

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

215.1 °F - closed cup

Flash Point(C)

101.70 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

515353-BULK:
515353-1G:
515353-5G:
515353-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
00806HJ
05826LH
02427DH
08717BE
04819LD

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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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