Myrac Aldehyde - ≥97%, Containing different amounts of 3-(4-Methyl-3-Pentenyl)Cyclohex-3-Ene-1-Carbaldehyde , CAS No.37677-14-8

CAS: 37677-14-8 Cat. No.: M189130 分子式: C₁₃H₂₀O 分子量: 192.3 EC番号: 253-617-4

GRADE & PURITY ≥97%, Containing different amounts of 3-(4-Methyl-3-Pentenyl)Cyclohex-3-Ene-1-Carbaldehyde

Synonyms

MQBIZQLCHSZBOI-UHFFFAOYSA-N | W-106522 | 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride | Myrac aldehyde | 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde | Isohexenyl cyclohexenyl carboxaldeh

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

MQBIZQLCHSZBOI-UHFFFAOYSA-N | W-106522 | 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride | Myrac aldehyde | 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde | Isohexenyl cyclohexenyl carboxaldeh

仕様と純度

≥97%, Containing different amounts of 3-(4-Methyl-3-Pentenyl)Cyclohex-3-Ene-1-Carbaldehyde

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488186766

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488186766

カノニカル・スマイル

CC(=CCCC1=CCC(CC1)C=O)C

IUPAC Name

4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde

InChIKey

MQBIZQLCHSZBOI-UHFFFAOYSA-N

INCHI

1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3

異性体SMILES

CC(=CCCC1=CCC(CC1)C=O)C

分子量

192.3

Reaxy-Rn

1936411

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1936411&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: Monocyclic monoterpenoids
• Alternative Parents: Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocyclic monoterpenoid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
• 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

• 屈折率: 1.4912
• 分子量: 192.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 192.151 Da
• Monoisotopic Mass: 192.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 244.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 37677-14-8, the molecular formula is C13H20O, and the molecular weight is 192.3 g/mol. InChIKey MQBIZQLCHSZBOI-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.