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4，6，6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol - ≥95%, high purity , CAS No.473-67-6

COA

Grade & Purity:

≥95%

Cas Number: 473-67-6
Molecular Weight: 152.23
EC Number: 207-470-8
PubChem CID: 61126

In stock

Item Number

T694061

Grouped product items
SKU	Size	Availability	Price	Qty
T694061-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90
T694061-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$382.90

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 Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Pinane monoterpenoid - Bicyclic monoterpenoid - 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	an insect hormone - a monoterpenol
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

Names and Identifiers

IUPAC Name	4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
INCHI	InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3
InChIKey	WONIGEXYPVIKFS-UHFFFAOYSA-N
Smiles	CC1=CC(C2CC1C2(C)C)O
Isomeric SMILES	CC1=CC(C2CC1C2(C)C)O
Alternate CAS	1820-09-3,473-67-6,5416-53-5
NSC Number	6833
MeSH Entry Terms	verbenol;verbenol, (1alpha,2alpha,5alpha)-isomer;verbenol, (1alpha,2beta,5alpha)-isomer;verbenol, (1R-(1alpha,2alpha,5alpha))-isomer;verbenol, (1R-(1alpha,2beta,5alpha))-isomer;verbenol, (1S-(1alpha,2alpha,5alpha))-isomer;verbenol, (1S-(1alpha,2beta,5alph
Molecular Weight	152.23
Reaxy-Rn	1861458
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861458&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	152.230 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	152.12 Da
Monoisotopic Mass	152.12 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	215.000
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

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