(+)-Isopulegol - Moligand™, ≥99% , CAS No.104870-56-6

CAS: 104870-56-6 Cat. No.: I474193 분자식: C₁₀H₁₈O 분자량: 154.25 EC 번호: 625-653-4

GRADE & PURITY Moligand™, ≥99%

Synonyms

(+)-Isopulegol | (1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol | Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S,2R,5S)- | DTXSID40146799 | Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S-(1alpha,2beta,5alpha))- | HY-113903 | CYCLOHEXANOL, 5-METHY

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

Isopulegol is a monoterpene alcohol, which is generally found in essential oils of various plants. It is widely used as a fragrance ingredient in cosmetics, shampoos and toilet soaps. Isopulegol is also a key intermediate in the synthesis of (−)-menthol.(+)-Isopulegol can be used as a starting material to synthesize:A natural product (−)-isopiperitenone.Medicinally important octahydro-2H-chromen-4-ol derivatives by reacting with benzaldehydes.Antituberculosis diterpenoid named 12-epi-ileabethoxazole.

Specifications

동의어

(+)-Isopulegol | (1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol | Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S,2R,5S)- | DTXSID40146799 | Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S-(1alpha,2beta,5alpha))- | HY-113903 | CYCLOHEXANOL, 5-METHY

사양 및 순도

Moligand™, ≥99%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

CC1CCC(C(C1)O)C(=C)C

IUPAC Name

(1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

InChIKey

ZYTMANIQRDEHIO-AEJSXWLSSA-N

INCHI

1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1

이성체 SMILES

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

WGK 독일

3

대체 CAS

7786-67-6；89-79-2

분자량

154.25

Reaxy-Rn

4128962

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4128962&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Cyclohexanols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexanol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 감도: air sensitive
• 굴절률: refractive index n20/D 1.469 (lit.)
• 발화점(°F): 172.4 °F
• 발화점(°C): 78 °C
• 분자량: 154.250 g/mol
• XLogP3: 3.000
• 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: 151.000
• 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