(-)-Menthyl Chloroformate - ≥95% , CAS No.14602-86-9

CAS: 14602-86-9 Cat. No.: M131981 Fórmula: C₁₁H₁₉ClO₂ Peso molecular: 218.72 Número CE: 672-624-7

GRADE & PURITY ≥95%

Synonyms

(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl chloroformate | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-carbonochloridate | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate | J-008182 | EN300-111714 | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl chloroformate | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-carbonochloridate | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate | J-008182 | EN300-111714 | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexy

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488196035

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196035

Sorrisos canónicos

CC1CCC(C(C1)OC(=O)Cl)C(C)C

IUPAC Name

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate

InChIKey

KIUPCUCGVCGPPA-KXUCPTDWSA-N

INCHI

1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

SMILES isoméricas

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)Cl)C(C)C

WGK Alemanha

3

Peso molecular

218.72

Reaxy-Rn

3198592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3198592&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 Organic carbonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - 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: 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

Propriedades químicas e físicas

• Sensibilidade: Moisture Sensitive
• Índice de refração: 1.46
• Rotação específica [α]: -78° (neat)
• Ponto de inflamação (°C): 70°C(lit.)
• Ponto de ebulição (°C): 109 °C/11 mmHg
• Peso molecular: 218.720 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.107 Da
• Monoisotopic Mass: 218.107 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 203.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Perguntas frequentes

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 14602-86-9, the molecular formula is C11H19ClO2, and the molecular weight is 218.72 g/mol. InChIKey KIUPCUCGVCGPPA-KXUCPTDWSA-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.