exo-norbornan-2-ol - ≥97% , CAS No.83572-20-7

CAS: 83572-20-7 Cat. No.: E638390 Formula: C₇H₁₂O Molecular Weight: 112.17 EC Number: 207-845-6

GRADE & PURITY ≥97%

Synonyms

exo-Bicyclo[2.2.1]heptan-2-ol | AKOS000136085 | Bicyclo(2.2.1)heptan-2-ol, (1R,2R,4S)-rel- | E88488 | EXO-2-HYDROXYBICYCLO(2.2.1)HEPTANE | SMR000001192 | exo-Bicyclo[2.2.1]heptan-1-ol | NSC 167460 | exo-Norbornanol | exo-Norborneol | EINECS 207-845-6 | Q6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

exo-Bicyclo[2.2.1]heptan-2-ol | AKOS000136085 | Bicyclo(2.2.1)heptan-2-ol, (1R,2R,4S)-rel- | E88488 | EXO-2-HYDROXYBICYCLO(2.2.1)HEPTANE | SMR000001192 | exo-Bicyclo[2.2.1]heptan-1-ol | NSC 167460 | exo-Norbornanol | exo-Norborneol | EINECS 207-845-6 | Q6

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Canonical Smiles

C1CC2CC1CC2O

IUPAC Name

(1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol

InChIKey

ZQTYQMYDIHMKQB-VQVTYTSYSA-N

INCHI

1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/m1/s1

Isomeric SMILES

C1C[C@H]2C[C@@H]1C[C@@H]2O

Alternate CAS

61277-93-8,497-37-0

Molecular Weight

112.17

Reaxy-Rn

2036611

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036611&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: 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: 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

Chemical and Physical Properties

• Molecular Weight: 112.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% 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 83572-20-7, the molecular formula is C7H12O, and the molecular weight is 112.17 g/mol. InChIKey ZQTYQMYDIHMKQB-VQVTYTSYSA-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.