1,1-Diethoxybutane - ≥96% , CAS No.3658-95-5

CAS: 3658-95-5 Cat. No.: D479007 Molecular Weight: 146.23 EC Number: 222-913-5
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
BUTYRALDEHYDE DIETHYL ACETAL | EINECS 222-913-5 | DTXSID4063119 | Butane, 1,1-diethoxy- | n-Butyraldehyde diethyl acetal | BUTYRALDEHYDEDIETHYLACETAL | UVHXZFGCCJLFMX-UHFFFAOYSA-N | Butyraldehyde diethyl acetal, analytical standard | FT-0623342 | A823304
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D479007-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$32.90
25g
D479007-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$79.90
100g
D479007-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$159.90
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C 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.

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Literature proof

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

Specifications

Synonyms
BUTYRALDEHYDE DIETHYL ACETAL | EINECS 222-913-5 | DTXSID4063119 | Butane, 1, 1-diethoxy- | n-Butyraldehyde diethyl acetal | BUTYRALDEHYDEDIETHYLACETAL | UVHXZFGCCJLFMX-UHFFFAOYSA-N | Butyraldehyde diethyl acetal, analytical standard | FT-0623342 | A823304
Specifications & Purity
≥96%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥96%
Names and Identifiers
Canonical SmilesCCCC(OCC)OCC
IUPAC Name1,1-diethoxybutane
InChIKeyUVHXZFGCCJLFMX-UHFFFAOYSA-N
INCHI1S/C8H18O2/c1-4-7-8(9-5-2)10-6-3/h8H,4-7H2,1-3H3
Isomeric SMILES CCCC(OCC)OCC
UN Number 1993C
Molecular Weight 146.23
Reaxy-Rn 1697910
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697910&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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentAcetals
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
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.

4 results found

Lot NumberCertificate TypeDateItem
L2518084Certificate of AnalysisDec 15, 2025 D479007
L2518085Certificate of AnalysisDec 15, 2025 D479007
L2518086Certificate of AnalysisDec 15, 2025 D479007
L2518087Certificate of AnalysisDec 15, 2025 D479007
Chemical and Physical Properties
SensitivityMoisture sensitive
Flash Point(°F)86.0 °F
Flash Point(°C)30 °C
Molecular Weight146.230 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass146.131 Da
Monoisotopic Mass146.131 Da
Topological Polar Surface Area18.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity58.300
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
Solution Calculators
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