1-Isopropoxy-2-propanol - ≥98% , CAS No.3944-36-3

CAS: 3944-36-3 Cat. No.: I404594 Molecular Weight: 118.18 EC Number: 223-533-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
UNII-1J5453324A | 1-propan-2-yloxypropan-2-ol | 1J5453324A | AKOS011042678 | 1-Isopropoxy-2-propanol | NSC 2412 | Q27252479 | I1084 | 2-Propanol, 1-(1-methylethoxy)- | 1-(1-methylethoxy)-2-propanol | AFHJYKBGDDJSRR-UHFFFAOYSA-N | DTXSID40863297 | WLN: QY1
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
I404594-250mg
5

$42.90

$60.90
Save $18.00 (29.56%)
1g
I404594-1g
5

$131.90

$170.90
Save $39.00 (22.82%)
5g
I404594-5g
3

$442.90

$573.90
Save $131.00 (22.83%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

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.

Specifications

Synonyms
UNII-1J5453324A | 1-propan-2-yloxypropan-2-ol | 1J5453324A | AKOS011042678 | 1-Isopropoxy-2-propanol | NSC 2412 | Q27252479 | I1084 | 2-Propanol, 1-(1-methylethoxy)- | 1-(1-methylethoxy)-2-propanol | AFHJYKBGDDJSRR-UHFFFAOYSA-N | DTXSID40863297 | WLN: QY1
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
Pubchem Sid504752948
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752948
Canonical SmilesCC(C)OCC(C)O
IUPAC Name1-propan-2-yloxypropan-2-ol
InChIKeyAFHJYKBGDDJSRR-UHFFFAOYSA-N
INCHI1S/C6H14O2/c1-5(2)8-4-6(3)7/h5-7H,4H2,1-3H3
Isomeric SMILES CC(C)OCC(C)O
UN Number 1987
Packing Group III
Molecular Weight 118.18
Reaxy-Rn 1732529
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732529&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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentSecondary alcohols
Alternative Parents Dialkyl ethers  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
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.

5 results found

Lot NumberCertificate TypeDateItem
J2228312Certificate of AnalysisAug 15, 2025 I404594
J2228311Certificate of AnalysisAug 15, 2025 I404594
J2228585Certificate of AnalysisAug 11, 2025 I404594
C2514266Certificate of AnalysisSep 05, 2022 I404594
K2422092Certificate of AnalysisSep 05, 2022 I404594
Chemical and Physical Properties
Refractive Index1.41
Flash Point(°C)48 °C
Boil Point(°C)137 °C
Molecular Weight118.170 g/mol
XLogP30.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass118.099 Da
Monoisotopic Mass118.099 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count8
Formal Charge0
Complexity52.500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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