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o-Tolualdehyde - >98.0%(GC), high purity , CAS No.529-20-4

3 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 529-20-4
Molecular Weight: 120.15
Beilstein Registry Number: 605841
EC Number: 208-452-2
MDL number: MFCD00003338
PubChem CID: 10722
PubChem SID: 488181172

In stock

Item Number

O159892

Grouped product items
SKU	Size	Availability	Price
O159892-5g	5g	3	$14.90
O159892-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
O159892-25g	25g	3	$41.90
O159892-100g	100g	3	$110.90
O159892-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$331.90

View related series

aldehyde (388) Metabolite (5307) Non heterocyclic block (8163)

Basic Description

Synonyms	MLS002152916 \| DTXSID1022051 \| NCGC00091709-02 \| O-TOLUALDEHYDE [MI] \| UNII-Q7E5H6W6BG \| BDBM85648 \| NSC 103152 \| STR03092 \| 2-Tolualdehyde \| o-Tolualdehyde, 97% \| o-Tolualdehyde-13C1 (carbonyl-13C) \| SMR001224516 \| EINECS 208-452-2 \| o-Methylbenazldehyde
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	o-tolualdehyde undergoes atmospheric degradation by direct photolysis by sunlight. o-tolualdehyde was used in determination of alkenal-2,4-dinitrophenylhydrazones by HPLC by addition of phosphoric acid. It produces to give a single diastereomer of the tetrahydronaphthalene derivative under UV irradiation.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Benzaldehydes Toluenes Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoyl - Benzaldehyde - Aryl-aldehyde - Toluene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors	tolualdehyde
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181172
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181172
IUPAC Name	2-methylbenzaldehyde
INCHI	InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKey	BTFQKIATRPGRBS-UHFFFAOYSA-N
Smiles	CC1=CC=CC=C1C=O
Isomeric SMILES	CC1=CC=CC=C1C=O
WGK Germany	3
Molecular Weight	120.15
Beilstein	605841
Reaxy-Rn	605841
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605841&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
K2009116	Certificate of Analysis	Aug 21, 2024	O159892
K2009118	Certificate of Analysis	Aug 21, 2024	O159892
K2009119	Certificate of Analysis	Aug 21, 2024	O159892
K2009120	Certificate of Analysis	Aug 21, 2024	O159892
D2412320	Certificate of Analysis	Mar 20, 2024	O159892
D2412326	Certificate of Analysis	Mar 20, 2024	O159892
A2225137	Certificate of Analysis	Dec 15, 2021	O159892
A2225144	Certificate of Analysis	Dec 15, 2021	O159892
A2225126	Certificate of Analysis	Dec 15, 2021	O159892
A2225145	Certificate of Analysis	Dec 15, 2021	O159892

Chemical and Physical Properties

Solubility	Soluble in carbon tetrachloride, ethanol, ethyl ether, benzene. Not miscible in water.
Sensitivity	Air sensitive;Light sensitive
Refractive Index	1.546
Flash Point(°F)	170.6 °F
Flash Point(°C)	67°C(lit.)
Boil Point(°C)	200°C
Melt Point(°C)	-35°C
Molecular Weight	120.150 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	120.058 Da
Monoisotopic Mass	120.058 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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