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T35602

Sigma-Aldrich

p-Tolualdehyde

97%

Synonyme(s) :

4-Methylbenzaldehyde

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5 G
49,10 €
100 G
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98,50 €

About This Item

Formule linéaire :
CH3C6H4CHO
Numéro CAS:
104-87-0
Poids moléculaire :
120.15
Beilstein:
385772
Numéro CE :
203-246-9
Numéro MDL:
MFCD00006954
Code UNSPSC :
12352100
ID de substance PubChem :
24900149
Nomenclature NACRES :
NA.22
Essai:
97%

49,10 €

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Devis pour commande en gros

Niveau de qualité

100

Essai

97%

Indice de réfraction

n20/D 1.545 (lit.)

pb

204-205 °C (lit.)
82-85 °C/11 mmHg (lit.)

Solubilité

water: soluble 0.25 g/L at 25 °C

Densité

1.019 g/mL at 25 °C (lit.)

Chaîne SMILES 

[H]C(=O)c1ccc(C)cc1

InChI

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

Clé InChI

FXLOVSHXALFLKQ-UHFFFAOYSA-N

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Description générale

p-Tolualdehyde (4-Methylbenzaldehyde) is an aromatic aldehyde. It has been generated as major oxygenated product during the UV light irradiated oxygenation of p-xylene, via photoinduced electron transfer mechanism.[1] It undergoes condensation reaction with diiron μ-ethylidyne complex to afford μ-vinylcarbyne complex (92% yield).[2]

Application

p-Tolualdehyde may be employed as growth substrate in the culture medium of the strains of Pseudomonas putida.[3]
p-Tolualdehyde may be used in the preparation of (E)-3-(4-methyl-phen-yl)-1-(1,3-thia-zol-2-yl)prop-2-en-1-one.[4] It may be used in the preparation of (Z)-trisubstituted allylic alcohols.[5]

Pictogrammes

Exclamation mark
GHS07

Mention d'avertissement

Warning

Mentions de danger

H302,H315,H319

Classification des risques

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Code de la classe de stockage

10 - Combustible liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

161.6 °F - closed cup

Point d'éclair (°C)

72 °C - closed cup

Équipement de protection individuelle

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificats d'analyse (COA)

Lot/Batch Number
0000368250
0000368251
SHBS0480
SHBR4491
0000360702

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Young K Chen et al.
Journal of the American Chemical Society, 126(12), 3702-3703 (2004-03-25)
In this Communication, we outline a new one-pot, multicomponent coupling reaction that allows easy access to (Z)-trisubstituted allylic alcohols. Our strategy is based on E to Z isomerization of the 1-bromo-1-dialkylvinylborane upon reaction with dialkylzinc reagents, and subsequent transmetalation to
Ohkubo et al.
Organic letters, 2(23), 3647-3650 (2000-11-14)
The 100% selective oxygenation of p-xylene to p-tolualdehyde is initiated by photoinduced electron transfer from p-xylene to the singlet excited state of 10-methyl-9-phenylacridinium ion under visible light irradiation, yielding p-tolualdehyde exclusively as the final oxygenated product. The reason for the
M J Worsey et al.
Journal of bacteriology, 124(1), 7-13 (1975-10-01)
Pseudomonas putida (arvilla) mt-2 carries genes for the catabolism of toluene, m-xylene, and p-xylene on a transmissible plasmid, TOL. These compounds are degraded by oxidation of one of the methyl substituents via the corresponding alcohols and aldehydes to benzoate and
Synthesis of cationic diiron μ-vinylcarbyne complexes.
Casey CP, et al.
Polyhedron, 7(10), 881-992 (1988)
Annamalai Palaniappan et al.
Acta crystallographica. Section E, Structure reports online, 68(Pt 6), o1875-o1875 (2012-06-22)
In the title chalcone, C(13)H(11)NOS, derived from the condensation of p-tolualdehyde and 1-(1,3-thia-zol-2-yl)ethanone, the olefine group has a trans configuration. No classical hydrogen bonding is present in the crystal structure.
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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

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    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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