3-Heptanol - ≥98%(GC) , CAS No.589-82-2

CAS: 589-82-2 Cat. No.: H156872 Molecular Weight: 116.2 EC Number: 209-661-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
3-Heptyl Alcohol | CH3(CH2)3CHOHCH2CH3 | heptan-3-ol | Q4634146 | EINECS 209-661-1 | Ethyl-n-butylcarbinol | DTXSID50862251 | n-Heptan-3-ol | (R)-heptan-3-ol | EN300-6504531 | UNII-12YBT48HMK | BUTYLETHYLCARBINOL | FT-0615772 | NSC2586 | NSC-2586 | 3-HEPT
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
5ml
H156872-5ml
3
$18.90
25ml
H156872-25ml
4
$74.90
100ml
H156872-100ml
5
$205.90
500ml
H156872-500ml
1
$694.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(GC) 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product Description
3-Heptanol is the main biotransformation product of n-heptane.
Product Application

3-Heptanol can be used: As a solvent to form microenvironments around single-walled carbon nanotubes. To prepare substituted pyrimidine derivatives as C1 domain-targeted isophthalate analogs to study their binding affinities towards PKCα isoform. As a building block to synthesize 4-(3-adamantan-1-yl-ureido)-butyric acid and cyclohexanecarboxylic acid derivatives as sEH inhibitors.

Specifications

Synonyms
3-Heptyl Alcohol | CH3(CH2)3CHOHCH2CH3 | heptan-3-ol | Q4634146 | EINECS 209-661-1 | Ethyl-n-butylcarbinol | DTXSID50862251 | n-Heptan-3-ol | (R)-heptan-3-ol | EN300-6504531 | UNII-12YBT48HMK | BUTYLETHYLCARBINOL | FT-0615772 | NSC2586 | NSC-2586 | 3-HEPT
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid488181368
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181368
Canonical SmilesCCCCC(CC)O
IUPAC Nameheptan-3-ol
InChIKeyRZKSECIXORKHQS-UHFFFAOYSA-N
INCHI1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
Isomeric SMILES CCCCC(CC)O
WGK Germany 3
RTECS MJ3150000
UN Number 1987
Packing Group III
Molecular Weight 116.2
Reaxy-Rn 1719067
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719067&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 oxygen compounds
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentSecondary alcohols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Secondary alcohol - 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 Fatty alcohols
3D Structure
Interactive Chemical Structure Model





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.

18 results found

Lot NumberCertificate TypeDateItem
K2205307Certificate of AnalysisAug 03, 2026 H156872
K2205306Certificate of AnalysisAug 03, 2026 H156872
K2205300Certificate of AnalysisAug 03, 2026 H156872
A2619111Certificate of AnalysisJan 29, 2026 H156872
D2530180Certificate of AnalysisJun 28, 2024 H156872
D2530181Certificate of AnalysisJun 28, 2024 H156872
D2530182Certificate of AnalysisJun 28, 2024 H156872
D1915035Certificate of AnalysisFeb 07, 2023 H156872
L2209530Certificate of AnalysisDec 27, 2022 H156872
I2320417Certificate of AnalysisOct 28, 2022 H156872
I2320416Certificate of AnalysisOct 28, 2022 H156872
I2320415Certificate of AnalysisOct 28, 2022 H156872
I2320414Certificate of AnalysisOct 28, 2022 H156872
K2205224Certificate of AnalysisAug 10, 2022 H156872
K2205252Certificate of AnalysisAug 10, 2022 H156872
K2205253Certificate of AnalysisAug 10, 2022 H156872
K2205254Certificate of AnalysisAug 10, 2022 H156872
D2402024Certificate of AnalysisAug 10, 2022 H156872

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Chemical and Physical Properties
Refractive Index1.4180-1.4230
Flash Point(°F)140 °F
Flash Point(°C)60°C(lit.)
Boil Point(°C)66 °C/20 mmHg
Molecular Weight116.200 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass116.12 Da
Monoisotopic Mass116.12 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity43.700
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
1. Yingchun Guo, Lei Feng, Changcheng Wu, Xiaomei Wang, Xu Zhang.  (2020)  Confined pyrolysis transformation of ZIF-8 to hierarchically ordered porous Zn-N-C nanoreactor for efficient CO2 photoconversion under mild conditions.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2020.07.037]
2. Yu Han, Guohua Ma, Kai Zhang, Runcai Xu, Ning Xin, Jingtong An, Ning Wang, Yantao Li.  (2026)  Zn(II)-adjuvanted imidazole-based lipid nanoparticles for potent spleen-targeted mRNA delivery and enhanced immune activation.  JOURNAL OF CONTROLLED RELEASE,      [PMID:41720271] [10.1016/j.jconrel.2026.114742]
Solution Calculators
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