(+)-α-Terpineol - ≥97% , CAS No.7785-53-7

CAS: 7785-53-7 Cat. No.: T358145 Fórmula: C₁₀H₁₈O Peso molecular: 154.25 Número CE: 232-081-5

GRADE & PURITY ≥97%

Synonyms

(+)-(4R)-alpha-terpineol | SCHEMBL891812 | (4R)-p-menth-1-en-8-ol | 8-Hydroxy-p-menth-1-ene | L-alpha-TERPINEOL | (R)-p-Menth-1-en-8-ol | MFCD00171435 | A-Terpineol | Menth-1-en-8-ol | 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1R)- | DTXSID

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(+)-(4R)-alpha-terpineol | SCHEMBL891812 | (4R)-p-menth-1-en-8-ol | 8-Hydroxy-p-menth-1-ene | L-alpha-TERPINEOL | (R)-p-Menth-1-en-8-ol | MFCD00171435 | A-Terpineol | Menth-1-en-8-ol | 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1R)- | DTXSID

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488189792

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189792

Sorrisos canónicos

CC1=CCC(CC1)C(C)(C)O

IUPAC Name

2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol

InChIKey

WUOACPNHFRMFPN-VIFPVBQESA-N

INCHI

1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1

SMILES isoméricas

CC1=CC[C@@H](CC1)C(C)(C)O

WGK Alemanha

2

Peso molecular

154.25

Reaxy-Rn

1906604

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906604&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
• Descrição: 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: Menthane monoterpenoids

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

Propriedades químicas e físicas

• Rotação específica [α]: SPECIFIC ROTATION (20/D) 80.0 - 100.0 Degrees ( c=0.1 in Ethanol)
• Ponto de inflamação (°F): 194 °F
• Ponto de inflamação (°C): 90 °C
• Ponto de fusão (°C): 31° C
• Peso molecular: 154.250 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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