GRADE & PURITY 10mM in DMSO

Synonyms

CAS-1632-73-1 | CCG-266251 | Q417941 | SCHEMBL58038 | AKOS006230299 | s5379 | Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl- | (1S,2S,4R)-1,3,3-Trimethyl-bicyclo[2.2.1]heptan-2-ol | 410Q2GK1HF | 1,3,3-TRIMETHYL-2-NORBORNANOL | EN300-296384 | SY115529 | FENCH

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

CAS-1632-73-1 | CCG-266251 | Q417941 | SCHEMBL58038 | AKOS006230299 | s5379 | Bicyclo(2.2.1)heptan-2-ol, 1, 3, 3-trimethyl- | (1S, 2S, 4R)-1, 3, 3-Trimethyl-bicyclo[2.2.1]heptan-2-ol | 410Q2GK1HF | 1, 3, 3-TRIMETHYL-2-NORBORNANOL | EN300-296384 | SY115529 | FENCH

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1(C2CCC(C2)(C1O)C)C
• IUPAC Name: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
• InChIKey: IAIHUHQCLTYTSF-UHFFFAOYSA-N
• INCHI: 1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
• Isomeric SMILES: CC1(C2CCC(C2)(C1O)C)C
• RTECS: DT5080000
• Molecular Weight: 154.25
• Reaxy-Rn: 1850917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1850917&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Fenchane monoterpenoid - Bicyclic monoterpenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: 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: a monoterpenol

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

Associated Targets(Human)

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

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

Discover Target: DGAT1

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

UGT2A1 UDP-glucuronosyltransferase 2A1 (59 Activities)

Discover Target: UGT2A1

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

Associated Targets(non-human)

Leptinotarsa decemlineata (1161 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.48
• Flash Point(°F): 74°C(lit.)
• Flash Point(°C): 74°C(lit.)
• Boil Point(°C): 202 °C
• Melt Point(°C): 47°C(lit.)
• Molecular Weight: 154.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xiaojiao Zheng, Weiwei Ma, Qihui Wang, Yaping Xu, Yukun Yang, Shu Qin, Xu Jing.  (2023)  Development of self-dispersion ferrofluid-based dispersive liquid–liquid microextraction for determining chiral fungicide hexaconazole in water, tea, and juice using high-performance liquid chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109593]

2. Yunchang Fan, Hui Luo, Chunyan Zhu, Wenjin Li, Di Wu, Hongwei Wu.  (2021)  Hydrophobic natural alcohols based deep eutectic solvents: Effective solvents for the extraction of quinine.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2021.119112]

3. Cuicui Zhou, Yuxin Xiang, Chaoxi Zeng, Feiyang Li, Yuanjie Wu, Haoren Wu, Yong Yuan, Jin Cao, Feiyan Yin, Jianhui Ye, Zhonghua Liu, Meng Shi.  (2025)  Mechanistic insights into the stabilization of sulforaphane mediated by natural alcohol-derived hydrophobic deep eutectic solvents.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118910]

4. Hu Wenxu, Ge Dandan, Fu Feie, Yuan Lin, Yang Chunyan, Weng Zhehui, Huang Yao.  (2026)  Supramolecular solvents based on deep eutectic solvents and hexafluorobutanol for the extraction of aristolochic acids from natural plants.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:41642342] [10.1007/s00216-026-06357-w]