3-Methyl-1-hexanol - ≥97% , CAS No.13231-81-7

CAS: 13231-81-7 Cat. No.: M157784 Molecular Weight: 116.2 Beilstein Registry Number: 1(4)1748
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
T71716 | SCHEMBL497428 | 1-Hexanol, 3-methyl- | MFCD01321178 | YGZVAQICDGBHMD-UHFFFAOYSA-N | 3-METHYL-1-HEXANOL | 3-methylhexanol | AS-57350 | EN300-323196 | M1246 | DTXSID20927629 | 3-methylhexan-1-ol | AKOS009157982
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
250mg
M157784-250mg
3

$37.90

$56.90
Save $19.00 (33.39%)
1g
M157784-1g
3

$114.90

$172.90
Save $58.00 (33.55%)
5g
M157784-5g
1

$331.90

$497.90
Save $166.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% 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
T71716 | SCHEMBL497428 | 1-Hexanol, 3-methyl- | MFCD01321178 | YGZVAQICDGBHMD-UHFFFAOYSA-N | 3-METHYL-1-HEXANOL | 3-methylhexanol | AS-57350 | EN300-323196 | M1246 | DTXSID20927629 | 3-methylhexan-1-ol | AKOS009157982
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504753315
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504753315
Canonical SmilesCCCC(C)CCO
IUPAC Name3-methylhexan-1-ol
InChIKeyYGZVAQICDGBHMD-UHFFFAOYSA-N
INCHI1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3
Isomeric SMILES CCCC(C)CCO
Molecular Weight 116.2
Beilstein 1(4)1748
Reaxy-Rn 1719056
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719056&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 Primary alcohols  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - 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 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.

6 results found

Lot NumberCertificate TypeDateItem
B2427324Certificate of AnalysisJan 20, 2024 M157784
B2427325Certificate of AnalysisJan 20, 2024 M157784
B2427326Certificate of AnalysisJan 20, 2024 M157784
B2427327Certificate of AnalysisJan 20, 2024 M157784
B2427328Certificate of AnalysisJan 20, 2024 M157784
B2427332Certificate of AnalysisJan 20, 2024 M157784
Chemical and Physical Properties
Refractive Index1.42
Flash Point(°C)62 °C
Boil Point(°C)96°C/41mmHg(lit.)
Molecular Weight116.200 g/mol
XLogP32.300
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
Solution Calculators
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