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

CAS: 498-81-7 Cat. No.: D1509030 Formula: C₁₀H₂₀O Peso molecolare: 156.27 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥97%(mixture of isomers)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(mixture of isomers)

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CC1CCC(CC1)C(C)(C)O
• Peso molecolare: 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
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Slightly)
• Indice di rifrazione: n20D~1.46
• Punto di ebollizione (°C): 390° C at 760 mmHg
• Punto di fusione (°C): 1.70° C (Predicted)
• Peso molecolare: 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

Domande frequenti

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.