(1S)-(-)-α-Pinene - for synthesis , CAS No.7785-26-4

CAS: 7785-26-4 Cat. No.: S434091 분자식: C₁₀H₁₆ 분자량: 136.23 Beilstein Registry Number: 1903790 EC 번호: 232-077-3

GRADE & PURITY for Synthesis

Synonyms

FEMA No. 2902 | .ALPHA.-PINENE, L- | DL-ALPHA-PINENE | TZR3GM95PR | Z1255427385 | (1S)-(-)-.alpha.-Pinene | AKOS005622550 | alpha-Pinene (natural) | (-)-alpha-Pinene, 98%, optical purity ee: >=81% (GLC) | AKOS015918159 | ALPHA-PINENE [HSDB] | FEMA Number

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

동의어

FEMA No. 2902 | .ALPHA.-PINENE, L- | DL-ALPHA-PINENE | TZR3GM95PR | Z1255427385 | (1S)-(-)-.alpha.-Pinene | AKOS005622550 | alpha-Pinene (natural) | (-)-alpha-Pinene, 98%, optical purity ee: >=81% (GLC) | AKOS015918159 | ALPHA-PINENE [HSDB] | FEMA Number

사양 및 순도

for synthesis

보관 조건

Store at 2-8°C

배송

Wet ice,FedEx DG Service

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

합성을 위해

이름과 식별자

• Pubchem Sid: 504758744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758744
• 정식 스마일: CC1=CCC2CC1C2(C)C
• IUPAC Name: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
• InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N
• INCHI: 1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
• 이성체 SMILES: CC1=CC[C@H]2C[C@@H]1C2(C)C
• UN 번호: 2368
• 포장 그룹: III
• 분자량: 136.23
• Beilstein: 1903790
• Reaxy-Rn: 1560714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560714&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: Bicyclic monoterpenoids
• Alternative Parents: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: Bicyclic monoterpenoids - Cyclic monoterpenes

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)

MAPK13 Tchem MAP kinase p38 (1586 Activities)

Discover Target: MAPK13

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.466
• 특정 회전[α]: -45.5 ° (neat)
• 발화점(°C): 33℃
• 끓는점(°C): 156-158°C
• 녹는점(°C): -64°C
• 분자량: 136.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

참고 문헌

1. Xuejuan Wei, Xiaopeng Chen, Linlin Wang, Xiaojie Wei, Jiaqi Liang, Zehui Xiong, Jiezhen Liang.  (2023)  Isothermal Vapor–Liquid Equilibrium Data for a Binary System of (−)-α-Pinene + (−)-Limonene and a Quaternary System of (−)-α-Pinene + (−)-Limonene + Water + Ethephon at 313.2, 323.2, and 333.2 K.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.3c00097]

2. Xuejuan Wei, Xiaopeng Chen, Linlin Wang, Xiaojie Wei, Yang Yang, Jiaqi Liang, Jiezhen Liang.  (2023)  Measurement and Correlation of Isothermal Vapor–Liquid Equilibrium Data for (−)-α-Pinene + (−)-β-Pinene + Water + Phenoxyacetic Acid.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c03824]

3. Xiangying Yu, Xiaochun Chen, Yuting Li, Lin Li.  (2022)  Effect of Drying Methods on Volatile Compounds of Citrus reticulata Ponkan and Chachi Peels as Characterized by GC-MS and GC-IMS.  Foods,  11  (17): (2662).  [PMID:36076849] [10.3390/foods11172662]

4. Bin Liu, Danyang Fu, Hang Ning, Ming Tang, Hui Chen.  (2022)  Knockdown of CYP6CR2 and CYP6DE5 reduces tolerance to host plant allelochemicals in the Chinese white pine beetle Dendroctonus armandi.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:36127042] [10.1016/j.pestbp.2022.105180]

5. Huanli An, Tian Gan, Ming Tang, Hui Chen.  (2022)  Molecular Mechanism of Overcoming Host Resistance by the Target of Rapamycin Gene in Leptographium qinlingensis.  Microorganisms,  10  (3): (503).  [PMID:35336079] [10.3390/microorganisms10030503]

6. Yanmin Qin, Xiaopeng Chen, Linlin Wang, Xiaojie Wei, Weijian Nong, Xuejuan Wei, Jiezhen Liang.  (2022)  Experimental Determination and Computational Prediction of Dehydroabietic Acid Solubility in (−)-α-Pinene + (−)-β-Caryophyllene + P-Cymene System.  MOLECULES,  27  (4): (1220).  [PMID:35209018] [10.3390/molecules27041220]

7. Wei Su, Qingyun Li, Youyan Liu, Yimin Qin, Haibo Liu, Aixing Tang.  (2021)  Improved efficiency of lipase-mediated epoxidation of α-pinene using H2O2 in single-phase systems.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2021.111585]

8. Lulu Dai, Haiming Gao, Jiaqi Ye, Danyang Fu, Yaya Sun, Hui Chen.  (2018)  Isolation of CarE genes from the Chinese white pine beetle Dendroctonus armandi (Curculionidae: Scolytinae) and their response to host chemical defense.  PEST MANAGEMENT SCIENCE,  75  (4): (986-997).  [PMID:30204286] [10.1002/ps.5205]

9. Quanmin Wen, Ruixu Chen, Tian Xu, Dejun Hao.  (2024)  Functional Characterization of Terpene Synthases from Masson Pine (Pinus massoniana) under Feeding of Monochamus alternatus Adults.  Forests,  15  (2): (244).  [PMID:] [10.3390/f15020244]

10. Huan-huan Fan, Wei Su, Jing-zhi Wu, Wen-long Liu, Chu-an Lin, Qing-yun Li, You-yan Liu, Ai-xing Tang.  (2025)  Trisodium citrate synergises with Zn-BTC-modified ZIF-8 immobilised enzyme for green epoxidation of α-pinene in acidic media.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2025.115443]

11. Haoran Pei, Gang Xie, Xiang Yao, Shenghui Wang, Jin Yan, Liangying Dai, Yunsheng Wang.  (2024)  Exploring the binding affinity and characteristics of DcitOBP9 in citrus psyllids.  GENE,      [PMID:38759737] [10.1016/j.gene.2024.148551]

12. Huanwen Chen, Dan Xie, Zikai Pan, Niya Jia, Junhua Zhou, Qingshan Yang, Jia Yu, Defu Chi.  (2025)  Behavior-based stratified management: population suppression and invasion front control of Hylurgus ligniperda (Fabricius) in coastal shelterbelt ecosystems.  PEST MANAGEMENT SCIENCE,      [PMID:41410089] [10.1002/ps.70465]

13. Jiang Jinhui, Pan Yiwen, Zhao Jingyi, Zhang Siwei, Ma Fulong, Zhang Zicong, Liu Mengli, Qiu Zijie, Zhao Zheng, Sun Jianwei, Kwok Ryan T. K., Xiong Yu, Lam Jacky W. Y., Han Wei, Tang Ben Zhong.  (2026)  Poly(vinyl alcohol) induced chirality inversion and amplification of circularly polarized room-temperature phosphorescence in homopolypeptide aggregates.  Nature Communications,      [PMID:41708632] [10.1038/s41467-026-69707-3]

14. Huanwen Chen, Dan Xie, Li Liu, Lihong Jiang, Xiaowei Chen, Kai Ding, Xinhe Yu, Jia Yu, Defu Chi.  (2026)  Emergency Control Strategies for Hylurgops longipillus R. (Coleoptera, Scolytinae) Outbreaks: From Chemical Communication to Integrated Management.  Insects,  17  (8): (860).  [PMID:] [10.3390/insects17080860]

자주 묻는 질문

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 7785-26-4, the molecular formula is C10H16, and the molecular weight is 136.23 g/mol. InChIKey GRWFGVWFFZKLTI-IUCAKERBSA-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.