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

CAS: 498-81-7 Cat. No.: D1509030 分子式: C₁₀H₂₀O 分子量: 156.27 EC番号: 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

概要

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

同義語

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

仕様と純度

≥97%(mixture of isomers)

保管条件

Room temperature

入荷

Normal

純度

≥97%(mixture of isomers)

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CC1CCC(CC1)C(C)(C)O
• 分子量: 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
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Chloroform (Slightly)
• 屈折率: n20D~1.46
• 沸点（°C）: 390° C at 760 mmHg
• 融点（°C）: 1.70° C (Predicted)
• 分子量: 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

よくある質問

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.