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2-Allyl-6-methylphenol - 98%, high purity , CAS No.3354-58-3

COA

Grade & Purity:

≥98%

Cas Number: 3354-58-3
Molecular Weight: 148.20
MDL number: MFCD00002241
PubChem CID: 76883

In stock

Item Number

A472401

Grouped product items
SKU	Size	Availability	Price	Qty
A472401-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$150.90
A472401-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$317.90

Basic Description

Synonyms	2-Methyl-6-(2-propenyl)phenol \| F9995-1599 \| 4-bromo-trifluoromethylbenzene \| FT-0610993 \| InChI=1/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3 \| SY251122 \| SCHEMBL722558 \| WREVCRYZAWNLRZ-UHFFFAOYSA- \| 2-Allyl-6-methylphenol \| 2-ALLYL-6-METHY
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Cresols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Cresols
Intermediate Tree Nodes	Not available
Direct Parent	Ortho cresols
Alternative Parents	Toluenes 1-hydroxy-4-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-cresol - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors	Not available
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	2-methyl-6-prop-2-enylphenol
INCHI	InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3
InChIKey	WREVCRYZAWNLRZ-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)CC=C)O
Isomeric SMILES	CC1=C(C(=CC=C1)CC=C)O
UN Number	3145
Packing Group	III
Molecular Weight	148.20
Reaxy-Rn	1364284
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364284&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Specific Rotation[α]	n20/D 1.538 (lit.)
Boil Point(°C)	231-233° C (lit.)
Molecular Weight	148.200 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	148.089 Da
Monoisotopic Mass	148.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	131.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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