(+)-디하이드로카본 - ≥98%, 이성질체 혼합물 , CAS No.7764-50-3

CAS: 7764-50-3 Cat. No.: D102532 분자식: C₁₀H₁₆O 분자량: 152.23 EC 번호: 231-857-0

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

SCHEMBL309206 | C18018 | AZOCECCLWFDTAP-UHFFFAOYSA-N | Cyclohexanone,2-methyl-5-(1-methylethenyl)- | an isodihydrocarvone | p-Menth-8-en-2-one | 2-Methyl-5-(1-methylvinyl)cyclohexan-1-one | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-rel- | p-Me

Storage

Room temperature

Shipped In

보통

개요

(+)-디하이드로카본(이성질체의 혼합물)은 모노테르페노이드 화합물로, 주로 세스키테르펜을 제조하기 위한 빌딩 블록으로 사용됩니다

Specifications

동의어

SCHEMBL309206 | C18018 | AZOCECCLWFDTAP-UHFFFAOYSA-N | Cyclohexanone,2-methyl-5-(1-methylethenyl)- | an isodihydrocarvone | p-Menth-8-en-2-one | 2-Methyl-5-(1-methylvinyl)cyclohexan-1-one | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-rel- | p-Me

사양 및 순도

≥98%, 이성질체 혼합물

보관 조건

Room temperature

배송

보통

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488182891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182891
• 정식 스마일: CC1CCC(CC1=O)C(=C)C
• IUPAC Name: 2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
• InChIKey: AZOCECCLWFDTAP-UHFFFAOYSA-N
• INCHI: 1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3
• 이성체 SMILES: CC1CCC(CC1=O)C(=C)C
• WGK 독일: 2
• RTECS: OT0305000
• 대체 CAS: 5524-05-0
• 분자량: 152.23
• Reaxy-Rn: 1238596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238596&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 Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: an iso dihydrocarvone

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

화학 및 물리적 특성

• 굴절률: 1.471
• 발화점(°F): 177.8 °F
• 발화점(°C): 81 °C
• 끓는점(°C): 87-88°C
• 분자량: 152.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Yingjie Lu, Yuqi Cao, Danqing Chen, Yaobin Zhou, Li Zhang, Yue Su, Yinlong Guo.  (2022)  An online derivatization strategy targeting carbon–carbon double bonds by laser-ablation carbon fiber ionization mass spectrometry imaging: Unraveling the spatial characteristic in mountain-cultivated ginseng and garden-cultivated ginseng with different ages.  FOOD CHEMISTRY,      [PMID:36608558] [10.1016/j.foodchem.2022.135365]

2. Chen Longlong, Gong Yu, Ma Weihua, Jiang Yusuo, Zhao Huiting.  (2025)  Exploring how starvation and insulin regulate olfactory preference in Apis cerana cerana.  JOURNAL OF EXPERIMENTAL BIOLOGY,  228  (18):   [PMID:41025241] [10.1242/jeb.250880]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% 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 7764-50-3, the molecular formula is C10H16O, and the molecular weight is 152.23 g/mol. InChIKey AZOCECCLWFDTAP-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.