Dihydroterpineol - ≥97%(mixture of isomers) , CAS No.498-81-7

CAS: 498-81-7 Cat. No.: D1509030 Summenformel: C₁₀H₂₀O Molekulargewicht: 156.27 EG-Nummer: 207-871-8

GRADE & PURITY ≥97%(mixture of isomers)

Synonyms

cis-alpha,alpha,4-Trimethylcyclohexanemethanol | P-Menthan-8-OL, cis- | Cyclohexanemethanol, alpha,alpha,4-trimethyl- | trans -.alpha.-Dihydroterpineol | alpha,alpha,4-Trimethyl-cis-Cyclohexanemethanol | EINECS 230-795-1 | UODXCYZDMHPIJE-KYZUINATSA-N

Storage

Room temperature

Shipped In

Normal

Übersicht

Dihydro-α-terpineol is used as a bronchodilator for treatment of asthma, bronchitis, and other respiratory diseases. It is also a useful deodorant, food additive, and analgesic agent.

Purpose：

Used for blending high-quality soap and cosmetic essences with scents such as lilac

Specifications

Synonyme

cis-alpha,alpha,4-Trimethylcyclohexanemethanol | P-Menthan-8-OL, cis- | Cyclohexanemethanol, alpha,alpha,4-trimethyl- | trans -.alpha.-Dihydroterpineol | alpha,alpha,4-Trimethyl-cis-Cyclohexanemethanol | EINECS 230-795-1 | UODXCYZDMHPIJE-KYZUINATSA-N

Spezifikationen & Reinheit

≥97%(mixture of isomers)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(mixture of isomers)

Namen und Kennungen

• Kanonisches Lächeln: CC1CCC(CC1)C(C)(C)O
• IUPAC Name: 2-(4-methylcyclohexyl)propan-2-ol
• InChIKey: UODXCYZDMHPIJE-UHFFFAOYSA-N
• INCHI: 1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3
• Isomere SMILES: CC1CCC(CC1)C(C)(C)O
• Molekulargewicht: 156.27
• Reaxy-Rn: 1902272
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902272&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Slightly)
• Brechungsindex: n20D~1.46
• Siedepunkt (°C): 390° C at 760 mmHg
• Schmelzpunkt (°C): 1.70° C (Predicted)
• Molekulargewicht: 156.260 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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

Häufig gestellte Fragen

What is the isomeric composition of this product?

This product is supplied at ≥97%, mixture of isomers. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 498-81-7, the molecular formula is C10H20O, and the molecular weight is 156.27 g/mol. InChIKey UODXCYZDMHPIJE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.