1,4-Pentanediol - ≥98% , CAS No.626-95-9

CAS: 626-95-9 Cat. No.: P171240 Formula: C5H12O2 Molecular Weight: 104.15 EC Number: 210-973-5 PubChem CID: 79083
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AKOS024462638 | 1,4-Pentanediol, 99% | EN300-172378 | MFCD00004560 | DTXSID20870727 | GLOBUAZSRIOKLN-UHFFFAOYSA- | EINECS 210-973-5 | AI3-08028 | FT-0690903 | AS-30506 | SY239899 | InChI=1/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3 | SCHEMBL50388 | Pentane-1,
Storage
Room temperature
Shipped In
Normal
★
Size
Germany (EU)
USA*
Price
Qty
1g
P171240-1g
—
5 In stock

€14.66

€22.47
Save €7.81 (34.75%)
5g
P171240-5g
—
5 In stock

€31.15

€46.77
Save €15.62 (33.40%)
25g
P171240-25g
—
2 In stock

€94.50

€142.22
Save €47.73 (33.56%)
100g
P171240-100g
—
1 In stock

€266.31

€399.94
Save €133.63 (33.41%)
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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

At 573K, 1, 4-pentadiol is dehydrated in an aqueous solution to produce a five-element ether, 2-methyltetrahydrofuran 


Application:

1, 4-pentaediol can be used to prepare poly (protoate)

Specifications

Synonyms
AKOS024462638 | 1,4-Pentanediol, 99% | EN300-172378 | MFCD00004560 | DTXSID20870727 | GLOBUAZSRIOKLN-UHFFFAOYSA- | EINECS 210-973-5 | AI3-08028 | FT-0690903 | AS-30506 | SY239899 | InChI=1/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3 | SCHEMBL50388 | Pentane-1,
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185678
Canonical Smiles
CC(CCCO)O
IUPAC Name
pentane-1,4-diol
InChIKey
GLOBUAZSRIOKLN-UHFFFAOYSA-N
INCHI
1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3
Isomeric SMILES
CC(CCCO)O
WGK Germany
3
PubChem CID
79083
Molecular Weight
104.15

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 oxygen compounds
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentSecondary alcohols
Alternative Parents Primary alcohols  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Secondary alcohol - Hydrocarbon derivative - Primary alcohol - 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.

18 results found

Lot NumberCertificate TypeDateItem
C2511620Certificate of AnalysisFeb 22, 2025 P171240
C2511623Certificate of AnalysisFeb 22, 2025 P171240
C2511624Certificate of AnalysisFeb 22, 2025 P171240
C2511625Certificate of AnalysisFeb 22, 2025 P171240
A2621160Certificate of AnalysisFeb 22, 2025 P171240
J2009278Certificate of AnalysisJul 07, 2023 P171240
J2009277Certificate of AnalysisJul 07, 2023 P171240
G2317113Certificate of AnalysisJul 01, 2023 P171240
G2317140Certificate of AnalysisJul 01, 2023 P171240
G2317139Certificate of AnalysisJul 01, 2023 P171240
G2317120Certificate of AnalysisJul 01, 2023 P171240
G2317112Certificate of AnalysisJul 01, 2023 P171240
G2317110Certificate of AnalysisJul 01, 2023 P171240
G2317104Certificate of AnalysisJul 01, 2023 P171240
G2317103Certificate of AnalysisJul 01, 2023 P171240
H2203055Certificate of AnalysisNov 12, 2021 P171240
K2109438Certificate of AnalysisNov 12, 2021 P171240
K2209102Certificate of AnalysisNov 12, 2021 P171240
Chemical and Physical Properties
SensitivityMoisture sensitive.
Refractive Index1.447
Flash Point(°F)>235.4 °F
Flash Point(°C)>113 °C
Boil Point(°C)72-73 °C/0.03 mmHg
Molecular Weight104.150 g/mol
XLogP30.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass104.084 Da
Monoisotopic Mass104.084 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.100
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
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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