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2-Allyl-6-methylphenol , CAS No.3354-58-3

COA

Grade & Purity:

≥97%

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

In stock

Item Number

A331712

Grouped product items
SKU	Size	Availability	Price
A331712-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
A331712-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
A331712-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90

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Aromatic Ring Compounds (348) Molecular block (319)

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
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	*material may darken in storage over time with no loss purity

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:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
D2508436	Certificate of Analysis	Mar 29, 2025	A331712
D2508437	Certificate of Analysis	Mar 29, 2025	A331712
D2508438	Certificate of Analysis	Mar 29, 2025	A331712
D2508439	Certificate of Analysis	Mar 29, 2025	A331712
D2508440	Certificate of Analysis	Mar 29, 2025	A331712
D2508441	Certificate of Analysis	Mar 29, 2025	A331712

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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