3-Octanol - ≥98%(GC) , CAS No.589-98-0

CAS: 589-98-0 Cat. No.: O159907 Molecular Weight: 130.23 Beilstein Registry Number: 1719310 EC Number: 209-667-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
3-Octanol, natural, >=97%, FCC, FG | 3-OCTANOL [FHFI] | Ethylamylcarbinol | (S)-3-Octanol | MFCD00004590 | A832101 | LMFA05000568 | 3-Octanol, 97% | O0121 | 3-OCTANOL, (+/-)- | 1-ethyl-1-hexanol | FEMA No. 3581 | 3-Octanol, 99% | DTXSID10862252 | 3-Octyl
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
5ml
O159907-5ml
10
$10.90
25ml
O159907-25ml
3
$37.90
100ml
O159907-100ml
2
$94.90
500ml
O159907-500ml
1
$299.90
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Why this grade

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

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Storage & shipping

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 22 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Influence of environment of the TiO2 photocatalyst on the rate of photocatalytic oxidation of liquid 3-octanol has been investigated.
It was used as reference compound in detection of volatile metabolites from five fungal species cultivated on two media.

Specifications

Synonyms
3-Octanol, natural, >=97%, FCC, FG | 3-OCTANOL [FHFI] | Ethylamylcarbinol | (S)-3-Octanol | MFCD00004590 | A832101 | LMFA05000568 | 3-Octanol, 97% | O0121 | 3-OCTANOL, (+/-)- | 1-ethyl-1-hexanol | FEMA No. 3581 | 3-Octanol, 99% | DTXSID10862252 | 3-Octyl
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid488181372
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181372
Canonical SmilesCCCCCC(CC)O
IUPAC Nameoctan-3-ol
InChIKeyNMRPBPVERJPACX-UHFFFAOYSA-N
INCHI1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
Isomeric SMILES CCCCCC(CC)O
WGK Germany 2
RTECS RH0855000
Molecular Weight 130.23
Beilstein 1719310
Reaxy-Rn 1719307
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719307&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
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty alcohols
Intermediate Tree Nodes Not available
Direct ParentFatty alcohols
Alternative Parents Secondary alcohols  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
External Descriptors aliphatic alcohol
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vibrio parahaemolyticus (473 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Listeria monocytogenes (2626 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus cereus (7522 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

26 results found

Lot NumberCertificate TypeDateItem
L2426572Certificate of AnalysisJan 07, 2025 O159907
L2510122Certificate of AnalysisNov 16, 2023 O159907
K2310398Certificate of AnalysisNov 16, 2023 O159907
K2310397Certificate of AnalysisNov 16, 2023 O159907
K2310396Certificate of AnalysisNov 16, 2023 O159907
K2310395Certificate of AnalysisNov 16, 2023 O159907
C2624041Certificate of AnalysisNov 16, 2023 O159907
H2304433Certificate of AnalysisAug 09, 2023 O159907
H2304437Certificate of AnalysisAug 09, 2023 O159907
H2304436Certificate of AnalysisAug 09, 2023 O159907
H2304435Certificate of AnalysisAug 09, 2023 O159907
H2304434Certificate of AnalysisAug 09, 2023 O159907
H2304432Certificate of AnalysisAug 09, 2023 O159907
C2330787Certificate of AnalysisApr 13, 2023 O159907
C2330786Certificate of AnalysisApr 13, 2023 O159907
C2330785Certificate of AnalysisApr 13, 2023 O159907
C2330784Certificate of AnalysisApr 13, 2023 O159907
C2330783Certificate of AnalysisApr 13, 2023 O159907
C2330778Certificate of AnalysisApr 13, 2023 O159907
C2330756Certificate of AnalysisApr 13, 2023 O159907
B2302437Certificate of AnalysisFeb 07, 2023 O159907
J2231137Certificate of AnalysisNov 04, 2022 O159907
J2231135Certificate of AnalysisNov 04, 2022 O159907
H2218108Certificate of AnalysisAug 23, 2022 O159907
G2225046Certificate of AnalysisJul 28, 2022 O159907
H1817075Certificate of AnalysisJun 20, 2022 O159907

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Chemical and Physical Properties
Refractive Index1.43
Flash Point(°F)154.4 °F
Flash Point(°C)68 °C
Boil Point(°C)177 °C
Molecular Weight130.229 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass130.136 Da
Monoisotopic Mass130.136 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count9
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
Citations of This Product
References
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