Borneol - ≥55% , CAS No.507-70-0

CAS: 507-70-0 Cat. No.: B109561 Formula: C₁₀H₁₈O Molecular Weight: 154.25 Beilstein Registry Number: 6,73 EC Number: 208-080-0

GRADE & PURITY ≥55%

Synonyms

Endo-2-camphanol|4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol|Bingpia|exo-2-Bornanol|BORNEOL, (L)|Endo-2-hydroxycamphane|Endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|DL-Borneol|DL-Isoborneol|Borneol|(+/-)-borneol|Borneol and Isoborneol|Borneol, exo-|DL-2-Bornanol|exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol|L(-)-Borneol|1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-ol|1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, exo- #|Borneo camphor|(2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-|exo-2-Camphanol|Bornyl alcohol|(+/-)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, endo-(.+/-.)-|Isoborneol|endo-2-Bornanol

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

Endo-2-camphanol | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol | Bingpia | exo-2-Bornanol | BORNEOL, (L) | Endo-2-hydroxycamphane | Endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol | DL-Borneol | DL-Isoborneol | Borneol | (+/-)-borneol | Borneol and Isoborneol | Borneol, exo- | DL-2-Bornanol | exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol | L(-) Show more

Specifications & Purity

≥55%

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

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

Action Type

MODULATOR

Purity

≥55%

Names and Identifiers

Pubchem Sid

508817213

Canonical Smiles

CC1(C2CCC1(C(C2)O)C)C

IUPAC Name

1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

InChIKey

DTGKSKDOIYIVQL-UHFFFAOYSA-N

INCHI

1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3

Isomeric SMILES

CC1(C2CCC1(C(C2)O)C)C

RTECS

ED7000000

UN Number

1312

Packing Group

III

Molecular Weight

154.25

Beilstein

6,73

Reaxy-Rn

6052111

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6052111&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 - Bornane 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)

UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

Discover Target: UGT1A1

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

UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

Discover Target: UGT1A8

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

UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

Discover Target: UGT1A9

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

Associated Targets(non-human)

Pyricularia grisea (1253 Activities)

Explore this target

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

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Staphylococcus epidermidis (22802 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Phytophthora infestans (820 Activities)

Explore this target

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

Cutibacterium acnes (887 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Puccinia recondita (281 Activities)

Explore this target

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

Blumeria graminis (462 Activities)

Explore this target

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

Tetranychus urticae (2600 Activities)

Explore this target

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

Botrytis cinerea (4183 Activities)

Explore this target

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Fusarium culmorum (260 Activities)

Explore this target

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

Fusarium oxysporum f. sp. lycopersici (29 Activities)

Explore this target

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

Leptinotarsa decemlineata (1161 Activities)

Explore this target

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

Rhizoctonia solani (2251 Activities)

Explore this target

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

Fusarium graminearum (1554 Activities)

Explore this target

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

Corticium (78 Activities)

Explore this target

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

Pythium (470 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

• Solubility: Insoluble in water; Very soluble in Benzene,Ether,Alcohol; Soluble in Toluene,Acetone,Chloroform
• Boil Point(°C): 212°C
• Melt Point(°C): 208°C
• Molecular Weight: 154.250 g/mol
• XLogP3: 2.700
• 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