(+)-Neomenthol - ≥96%(GC) , CAS No.2216-52-6

CAS: 2216-52-6 Cat. No.: N158923 분자식: C₁₀H₂₀O 분자량: 156.27 Beilstein Registry Number: 2037490 EC 번호: 218-691-4

GRADE & PURITY ≥96%(GC)

Synonyms

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel- | FT-0659190 | DTXSID9044326 | W-202827 | (1S,2S,5R)-Menthol | J-500420 | EINECS 207-723-2 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2alpha,5beta))- | AKOS015895932 | Cyclohexanol,5

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

(1S,2S,5R)-(+)-Neomenthol is a monoterpenoid compoundfound in the peppermint herb, Mentha piperita L. This menthol isomer is generally used as an additive in oral hygiene products and as a flavoring agent in food and beverages.

Specifications

동의어

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel- | FT-0659190 | DTXSID9044326 | W-202827 | (1S,2S,5R)-Menthol | J-500420 | EINECS 207-723-2 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2alpha,5beta))- | AKOS015895932 | Cyclohexanol,5

사양 및 순도

≥96%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥96%(GC)

이름과 식별자

Pubchem Sid

504758697

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758697

정식 스마일

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

IUPAC Name

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

InChIKey

NOOLISFMXDJSKH-UTLUCORTSA-N

INCHI

1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1

이성체 SMILES

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

WGK 독일

3

RTECS

OT0450000

분자량

156.27

Beilstein

2037490

Reaxy-Rn

1902288

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902288&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: Menthane monoterpenoids

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

관련 대상(인간)

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

Discover Target: UGT1A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Colletotrichum gloeosporioides (560 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 굴절률: n20/D 1.461 (lit.)
• 특정 회전[α]: [α]22/D +17.3°, neat
• 발화점(°F): 181.4 °F
• 발화점(°C): 82°C(lit.)
• 끓는점(°C): 95 °C/12 mmHg
• 녹는점(°C): −22 °C (lit.)
• 분자량: 156.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 2216-52-6, the molecular formula is C10H20O, and the molecular weight is 156.27 g/mol. InChIKey NOOLISFMXDJSKH-UTLUCORTSA-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.