Isochroman - ≥98% , CAS No.493-05-0

CAS: 493-05-0 Cat. No.: I122961 Molecular Weight: 134.18 Beilstein Registry Number: 17(5)1,595 EC Number: 207-774-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
EINECS 207-774-0 | 3,4-Dihydro-1H-isochromene | Pyridinium, 1-butyl-4-methyl-, chloride | EN300-52549 | NSC63362 | NSC-63362 | 3,4-Dihydro-1H-2-benzopyran; isochromane | 3,4-Dihydro-1H-isochromene # | AKOS009157107 | AM85788 | 1,2,3,4-TETRAHYDROBENZO(C)PY
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
I122961-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
10g
I122961-10g
9
$10.90
25g
I122961-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$13.90

$20.90
Save $7.00 (33.49%)
50g
I122961-50g
4

$25.90

$38.90
Save $13.00 (33.42%)
100g
I122961-100g
1

$42.90

$64.90
Save $22.00 (33.90%)
500g
I122961-500g
1

$182.90

$274.90
Save $92.00 (33.47%)
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Why this grade

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

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal 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.

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Literature proof

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

Specifications

Synonyms
EINECS 207-774-0 | 3, 4-Dihydro-1H-isochromene | Pyridinium, 1-butyl-4-methyl-, chloride | EN300-52549 | NSC63362 | NSC-63362 | 3, 4-Dihydro-1H-2-benzopyran; isochromane | 3, 4-Dihydro-1H-isochromene # | AKOS009157107 | AM85788 | 1, 2, 3, 4-TETRAHYDROBENZO(C)PY
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488186984
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488186984
Canonical SmilesC1COCC2=CC=CC=C21
IUPAC Name3,4-dihydro-1H-isochromene
InChIKeyHEBMCVBCEDMUOF-UHFFFAOYSA-N
INCHI1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
Isomeric SMILES C1COCC2=CC=CC=C21
WGK Germany 3
Molecular Weight 134.18
Beilstein 17(5)1,595
Reaxy-Rn 116154
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116154&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrans
Subclass2-benzopyrans
Intermediate Tree Nodes Not available
Direct Parent2-benzopyrans
Alternative Parents Benzenoids  Oxacyclic compounds  Dialkyl ethers  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-benzopyran - Benzenoid - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
External Descriptors isochromanes
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.

8 results found

Lot NumberCertificate TypeDateItem
G1415020Certificate of AnalysisFeb 05, 2026 I122961
E23171037Certificate of AnalysisMay 04, 2023 I122961
E23171115Certificate of AnalysisMay 04, 2023 I122961
E23171152Certificate of AnalysisMay 04, 2023 I122961
E2317661Certificate of AnalysisMay 04, 2023 I122961
E2317801Certificate of AnalysisMay 04, 2023 I122961
E2317821Certificate of AnalysisMay 04, 2023 I122961
D2315391Certificate of AnalysisMay 10, 2022 I122961
Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.545
Flash Point(°F)150.8 °F
Flash Point(°C)66°C
Boil Point(°C)110°C/25mmHg
Molecular Weight134.170 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass134.073 Da
Monoisotopic Mass134.073 Da
Topological Polar Surface Area9.200 Ų
Heavy Atom Count10
Formal Charge0
Complexity111.000
Isotope Atom Count0
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
Documents & Articles
Solution Calculators
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