2-Amyl-5-methylphenol - 10mM in DMSO , CAS No.1300-94-3

CAS: 1300-94-3 Cat. No.: A421174 Formule: C12H18O Poids moléculaire: 178.28 Numéro CE: 215-094-0
DISPONIBLE À COMMANDE
GRADE & PURITY 10mM in DMSO
Synonyms
05W904P57F | Amylmetacresol [INN:BAN] | 6-Pentyl-m-cresol | NCGC00180998-01 | Tox21_112651 | FT-0620948 | 6-N-AMYL-M-CRESOL [MI] | AKOS015912095 | EN300-7404783 | UNII-05W904P57F | Amylmetacresol; 5-Methyl-2-pentylphenol | 5-methyl-2-N-pentylphenol, Aldri
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
A421174-1ml
—
2 En stock

41,56€

60,65€
Enregistrer 19,09 € (31.47%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
05W904P57F | Amylmetacresol [INN:BAN] | 6-Pentyl-m-cresol | NCGC00180998-01 | Tox21_112651 | FT-0620948 | 6-N-AMYL-M-CRESOL [MI] | AKOS015912095 | EN300-7404783 | UNII-05W904P57F | Amylmetacresol; 5-Methyl-2-pentylphenol | 5-methyl-2-N-pentylphenol, Aldri
Spécifications et pureté
10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Type d'action
INHIBITOR
Propriétés du produit
ALogP
4.4
Noms et identifiants
Pubchem Sid
Sourires canoniques
CCCCCC1=C(C=C(C=C1)C)O
IUPAC Name
5-methyl-2-pentylphenol
InChIKey
CKGWFZQGEQJZIL-UHFFFAOYSA-N
INCHI
1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
Isomères SMILES
CCCCCC1=C(C=C(C=C1)C)O
RTECS
GP3100000
Poids moléculaire
178.28
Reaxy-Rn
2440952
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2440952&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassePhenols
SubclassCresols
Intermediate Tree Nodes Not available
Direct ParentMeta cresols
Alternative Parents Toluenes  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
External Descriptors phenols
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Sensibilitéair sensitive
Indice de réfraction1.51
Point d'éclair (°C)125 °C
Point d'ébullition (°C)139°C/15mmHg(lit.)
Poids moléculaire178.270 g/mol
XLogP34.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass178.136 Da
Monoisotopic Mass178.136 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count13
Formal Charge0
Complexity133.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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