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1-(3,4-Dimethoxyphenyl)ethanol - ≥97%, high purity , CAS No.5653-65-6

COA

Grade & Purity:

≥97%

Cas Number: 5653-65-6
Molecular Weight: 182.22
MDL number: MFCD02127273
PubChem CID: 436438

In stock

Item Number

D304010

Grouped product items
SKU	Size	Availability	Price	Qty
D304010-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90

Basic Description

Synonyms	1-(3,4-dimethoxyphenyl)ethanol \| 5653-65-6 \| 1-(3,4-dimethoxyphenyl)ethan-1-ol \| bmse010004 \| MFCD02127273 \| SBB063523 \| 3,4-dimethoxyphenylethanol \| SureCN670305 \| 3,4-Dimethoxyphenyl ethanol \| SCHEMBL670305 \| CHEBI:86531 \| DTXSID10331216 \| RTWOAVKBRMACKZ-UHFFFAOYSA-N \| 1-(3,4-di
Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenoxy compounds Anisoles Alkyl aryl ethers Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Secondary alcohol - Ether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors	benzyl alcohols - dimethoxybenzene
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	1-(3,4-dimethoxyphenyl)ethanol
INCHI	InChI=1S/C10H14O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7,11H,1-3H3
InChIKey	RTWOAVKBRMACKZ-UHFFFAOYSA-N
Smiles	CC(C1=CC(=C(C=C1)OC)OC)O
Isomeric SMILES	CC(C1=CC(=C(C=C1)OC)OC)O
Molecular Weight	182.22
Reaxy-Rn	2048958
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048958&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	182.220 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.094 Da
Monoisotopic Mass	182.094 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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