Methyl 2-Cyclohexyl-2-hydroxy-phenylacetate , CAS No.10399-13-0

CAS: 10399-13-0 Cat. No.: M350636 Formula: C₁₅H₂₀O₃ Peso molecolare: 248.32 Numero EC: 233-862-3

Synonyms

methyl 2-(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)acetate | Methyl 2-Hydroxy-2-cyclohexyl-2-phenylacetate | SPTZOODMHSABLY-UHFFFAOYSA-N | (+/-)-METHYL CYCLOHEXYLPHENYLGLYCOLATE | CYCLOHEXYLMANDELIC ACID METHYL ESTER | METHYL ESTER OF PHENYLCYCLOHEXY

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

methyl 2-(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)acetate | Methyl 2-Hydroxy-2-cyclohexyl-2-phenylacetate | SPTZOODMHSABLY-UHFFFAOYSA-N | (+/-)-METHYL CYCLOHEXYLPHENYLGLYCOLATE | CYCLOHEXYLMANDELIC ACID METHYL ESTER | METHYL ESTER OF PHENYLCYCLOHEXY

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

COC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

IUPAC Name

methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

InChIKey

SPTZOODMHSABLY-UHFFFAOYSA-N

INCHI

1S/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3

Isomeri SMILES

COC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

Peso molecolare

248.32

Reaxy-Rn

2699068

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2699068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Tertiary alcohols Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Soluble in Ether and Hexane
• Peso molecolare: 248.320 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.141 Da
• Monoisotopic Mass: 248.141 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 277.000
• 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

Domande frequenti

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10399-13-0, the molecular formula is C15H20O3, and the molecular weight is 248.32 g/mol. InChIKey SPTZOODMHSABLY-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.