Anisole-d₈ - ≥98 atom% D,≥98% , CAS No.54887-54-6

CAS: 54887-54-6 Cat. No.: A472026 Formula: C7D8O Molecular Weight: 116.19 EC Number: 689-505-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98 atom% D,≥98%
Synonyms
SCHEMBL13916998 | 1-(?H?)methoxy(?H?)benzene | D99183 | Anisole-d8 | DTXSID80480548 | 1,2,3,4,5-pentadeuterio-6-(trideuteriomethoxy)benzene | Methoxybenzene-d8 | Anisole-d8, 98 atom % D
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
Germany (EU)
USA*
Price
Qty
50mg
A472026-50mg
Made to order · 8–12 wks
€94.50
250mg
A472026-250mg
—
3 In stock
€363.50
1g
A472026-1g
—
2 In stock

€1,034.26

€1,207.81
Save €173.55 (14.37%)
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Why this grade

≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application:

Anisole-d8 is the labeled analogue of Anisole (A673900), which is used in perfumery.

Specifications

Synonyms
SCHEMBL13916998 | 1-(?H?)methoxy(?H?)benzene | D99183 | Anisole-d8 | DTXSID80480548 | 1,2,3,4,5-pentadeuterio-6-(trideuteriomethoxy)benzene | Methoxybenzene-d8 | Anisole-d8, 98 atom % D
Specifications & Purity
≥98 atom% D,≥98%
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98 atom% D,≥98%
Names and Identifiers
Pubchem Sid488197946
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488197946
Canonical SmilesCOC1=CC=CC=C1
IUPAC Name1,2,3,4,5-pentadeuterio-6-(trideuteriomethoxy)benzene
InChIKeyRDOXTESZEPMUJZ-JGUCLWPXSA-N
INCHI1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])OC([2H])([2H])[2H])[2H])[2H]
Molecular Weight 116.19
Reaxy-Rn 506892
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506892&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassAnisoles
Intermediate Tree Nodes Not available
Direct ParentAnisoles
Alternative Parents Phenoxy compounds  Methoxybenzenes  Alkyl aryl ethers  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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 NumberCertificate TypeDateItem
H2631172Certificate of AnalysisSep 08, 2026 A472026
D2326112Certificate of AnalysisApr 01, 2023 A472026
D2326130Certificate of AnalysisApr 01, 2023 A472026
D2326135Certificate of AnalysisApr 01, 2023 A472026
D2326138Certificate of AnalysisApr 01, 2023 A472026
I2509063Certificate of AnalysisApr 01, 2023 A472026
Chemical and Physical Properties
SolubilityChloroform (Sparingly), Methanol (Slightly)
Refractive Index1.5145 (lit.)
Boil Point(°C)154 °C (lit.)
Molecular Weight116.190 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass116.108 Da
Monoisotopic Mass116.108 Da
Topological Polar Surface Area9.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity55.400
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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