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T35505

Sigma-Aldrich

m-Tolualdehyde

97%

Synonym(s):

3-Methylbenzaldehyde

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About This Item

Linear Formula:
CH3C6H4CHO
CAS Number:
620-23-5
Molecular Weight:
120.15
Beilstein:
741964
EC Number:
210-632-0
MDL number:
MFCD00003374
UNSPSC Code:
12352100
PubChem Substance ID:
24900148
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.541 (lit.)

bp

199 °C (lit.)
80-82 °C/11 mmHg (lit.)

density

1.021 g/mL at 20 °C
1.019 g/mL at 25 °C (lit.)

SMILES string

[H]C(=O)c1cccc(C)c1

InChI

1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3

InChI key

OVWYEQOVUDKZNU-UHFFFAOYSA-N

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Related Categories

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

181.4 °F - closed cup

Flash Point(C)

83 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Bi-hong Xiao et al.
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, 34(4), 544-546 (2011-08-04)
To study the secondary metabolites of coastal seaweed endophytic fungi ZJ27. The compounds were isolated by chromatographic technique. The structures were identified by comprehensive physic-chemical properties and spectral methods. Five compounds were isolated and identified as sclerotiorin (1), ochrephilone (2)
Z P Lin et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 56A(1), 111-117 (2000-03-23)
Triplet-state energy values obtained from the gas phase are still scarce. In this study, the triplet-state energies of 58 aroyl compounds, introduced as gas chromatographic peaks at atmospheric pressure and typically 473 K, have been determined from the 0-0 bands
Anu Vaidyanathan et al.
Journal of toxicology and environmental health. Part A, 66(12), 1133-1143 (2003-06-07)
Xylene is used as a solvent in paints, cleaning agents, and gasoline. Exposure occurs primarily by inhalation. The volatility and lipophilicity of the xylenes make the lung and nasal mucosa the primary target organs. m-Xylene (m-XYL) has been shown to
K Watanabe et al.
Drug metabolism and disposition: the biological fate of chemicals, 23(2), 261-265 (1995-02-01)
Mouse hepatic microsomal enzymes catalyzed the oxidation of o-, m-, and p-tolualdehydes, intermediate metabolites of xylene, to the corresponding toluic acids. Cofactor requirement for the catalytic activity indicates that the microsomes contain NAD- and NADPH-dependent enzymes for this reaction. GC/MS

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