Trimethylhydroquinone - ≥97% , CAS No.700-13-0

CAS: 700-13-0 Cat. No.: T106610 Summenformel: C₉H₁₂O₂ Molekulargewicht: 152.19 Beilstein Registry Number: 1909183 EG-Nummer: 211-838-3 PubChem CID: 12785

QUALITÄT & REINHEIT ≥97%

Synonyms

1, 2,3,5-trimethyl-|Trimethylhydroquinone|trimethyl-hydroquinone|.psi.-Cumohydroquinone|2,3,5-Trimethyl-1,4-benzenediol|2,5-Trimethyl-1,4-benzenediol|2,5,6-trimethylhydroquinone|2,6-Trimethylhydroquinone|2,3,5-Trimethylquinol|trimethyihydroquinone|psi-Cumohydroquinone|TMHYDROP|Trimethyl hydroquinone|2,3,5-Trimethyl-benzene-1,4-diol|2,3,5-trimethylbenzene-1,4-diol|2,3,5-Trimethylhydroquinone|Pseudocumohydroquinone|1,4-Benzenediol, 2,3,5-trimethyl-|HYDROQUINONE, TRIMETHYL-|1,4-Dihydroxy-2,3,5-trimethylbenzene|2,3,5-trimethyl hydroquinone|2,5-Trimethylhydroquinone

Storage

Room temperature,Argon charged

Shipped In

Normal

Spezifikationen

Synonyme

1, 2,3,5-trimethyl- | Trimethylhydroquinone | trimethyl-hydroquinone | .psi.-Cumohydroquinone | 2,3,5-Trimethyl-1,4-benzenediol | 2,5-Trimethyl-1,4-benzenediol | 2,5,6-trimethylhydroquinone | 2,6-Trimethylhydroquinone | 2,3,5-Trimethylquinol | trimethyihydroquinone | psi-Cumohydroquinone | TMHYDROP | Trimethyl hydroquinone | 2,3,5-Trimeth Show more

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488181738

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181738

Kanonisches Lächeln

CC1=CC(=C(C(=C1O)C)C)O

IUPAC Name

2,3,5-trimethylbenzene-1,4-diol

InChIKey

AUFZRCJENRSRLY-UHFFFAOYSA-N

INCHI

1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3

Isomere SMILES

CC1=CC(=C(C(=C1O)C)C)O

WGK Deutschland

2

RTECS

MX7820000

PubChem CID

12785

UN-Nummer

3077

Molekulargewicht

152.19

Beilstein

1909183

Reaxy-Rn

1909183

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinones
• Alternative Parents: Ortho cresols Meta cresols 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-cresol - M-cresol - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4.
• External Descriptors: Not available

Data sources

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (2 g/L @ 20°C）
• Empfindlichkeit: Light & air sensitive
• Flammpunkt (°F): 375.8 °F
• Flammpunkt (°C): 191℃
• Siedepunkt (°C): 295°C
• Schmelzpunkt (°C): 169-174°
• Molekulargewicht: 152.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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