Terpineol - ≥95%, mixture of isomers , CAS No.8000-41-7

CAS: 8000-41-7 Cat. No.: T103776 分子式: C₁₀H₁₈O 分子量: 154.25 EC番号: 232-268-1

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol | p-Menth-1-en-8-ol

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol | p-Menth-1-en-8-ol

仕様と純度

≥95%, mixture of isomers

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

504752800

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752800

カノニカル・スマイル

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

IUPAC Name

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

InChIKey

WUOACPNHFRMFPN-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

2

RTECS

WZ6600000

分子量

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
    • 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: a monoterpenol

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

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ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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関連ターゲット（非人間）

Escherichia coli (133304 Activities)

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Gardnerella vaginalis (35 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Gabrg2 GABA-A receptor; alpha-1/beta-2/gamma-2 (554 Activities)

Discover Target: Gabrg2

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Smooth muscle of trachea (74 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with organic solvents. Slightly miscible with water.
• 感度: Moisture sensitive.
• 屈折率: 1.484
• 引火点（°F）: 190.4 °F
• 引火点（°C）: 88 °C
• 沸点（°C）: 213-218℃
• 融点（°C）: 31-36℃
• 分子量: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1