Diethyl 1-octylphosphonate - ≥98% , CAS No.1068-07-1

CAS: 1068-07-1 Cat. No.: D352180 Molecular Weight: 250.31 EC Number: 213-941-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AI3-18569 | octyl-phosphonic acid diethyl ester | Diethyl 1-octanephosphonate | EINECS 213-941-9 | SCHEMBL503890 | E81589 | FT-0624817 | Phosphonic acid, octyl-, diethyl ester | AKOS017343273 | Diethyl octylphosphonate | 1-diethoxyphosphoryloctane | dieth
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D352180-5g
1

$36.90

$55.90
Save $19.00 (33.99%)
25g
D352180-25g
1

$173.90

$260.90
Save $87.00 (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal 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
AI3-18569 | octyl-phosphonic acid diethyl ester | Diethyl 1-octanephosphonate | EINECS 213-941-9 | SCHEMBL503890 | E81589 | FT-0624817 | Phosphonic acid, octyl-, diethyl ester | AKOS017343273 | Diethyl octylphosphonate | 1-diethoxyphosphoryloctane | dieth
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCCCCCCCP(=O)(OCC)OCC
IUPAC Name1-diethoxyphosphoryloctane
InChIKeyMVDVRXOWIPONFY-UHFFFAOYSA-N
INCHI1S/C12H27O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4-12H2,1-3H3
Isomeric SMILES CCCCCCCCP(=O)(OCC)OCC
Molecular Weight 250.31
Reaxy-Rn 1778018
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1778018&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
SuperclassOrganic acids and derivatives
ClassOrganic phosphonic acids and derivatives
SubclassPhosphonic acid diesters
Intermediate Tree Nodes Not available
Direct ParentDialkyl alkylphosphonates
Alternative Parents Phosphonic acid esters  Organopnictogen compounds  Organophosphorus compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
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
H2406434Certificate of AnalysisJul 06, 2024 D352180
H2406435Certificate of AnalysisJul 06, 2024 D352180
H2406436Certificate of AnalysisJul 06, 2024 D352180
H2406437Certificate of AnalysisJul 06, 2024 D352180
Chemical and Physical Properties
Refractive Index1.4340
Boil Point(°C)88-89°/0.1mm
Molecular Weight250.310 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass250.17 Da
Monoisotopic Mass250.17 Da
Topological Polar Surface Area35.500 Ų
Heavy Atom Count16
Formal Charge0
Complexity185.000
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
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.