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3-Hexanol - ≥98.0%(GC), high purity , CAS No.623-37-0

3 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 623-37-0
Molecular Weight: 102.18
Beilstein Registry Number: 1408
MDL number: MFCD00004582
PubChem CID: 12178
PubChem SID: 488181575

In stock

Item Number

H133955

Grouped product items
SKU	Size	Availability	Price
H133955-1ml	1ml	2	$9.90
H133955-5ml	5ml	10	$14.90
H133955-25ml	25ml	7	$57.90
H133955-100ml	100ml	5	$205.90
H133955-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$923.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS009157163 \| DL-3-HEXANOL \| Ethyl propyl carbinol \| EINECS 210-790-0 \| 3-Hexanol (natural) \| FT-0615780 \| 3-HEXANOL \| DTXSID70862314 \| EN300-107419 \| H0132 \| I1ZTO95J84 \| Ethylpropylcarbinol \| Hexan-3-ol; 3-Hexanol \| Hexanol-(3) \| UNII-I1ZTO95J84 \| FEM
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	Product Description 3-Hexanol is an aliphatic alcohol that is reported to occur in freesia oil, pandan leaves and in tomato and dried products. Product Application It finds it application as a flavoring agent or adjuvant.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Secondary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181575
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181575
IUPAC Name	hexan-3-ol
INCHI	InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3
InChIKey	ZOCHHNOQQHDWHG-UHFFFAOYSA-N
Smiles	CCCC(CC)O
Isomeric SMILES	CCCC(CC)O
RTECS	MIO857000
Molecular Weight	102.18
Beilstein	1408
Reaxy-Rn	1718964
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718964&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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11 results found

Lot Number	Certificate Type	Date	Item
D23142388	Certificate of Analysis	Jan 16, 2025	H133955
D23142389	Certificate of Analysis	Jan 16, 2025	H133955
D23142397	Certificate of Analysis	Jan 16, 2025	H133955
K2405022	Certificate of Analysis	Nov 08, 2024	H133955
K2405255	Certificate of Analysis	Nov 07, 2024	H133955
D2417350	Certificate of Analysis	Mar 11, 2024	H133955
D2417357	Certificate of Analysis	Mar 11, 2024	H133955
C2218642	Certificate of Analysis	Jan 04, 2024	H133955
C2218644	Certificate of Analysis	Jan 04, 2024	H133955
C2218645	Certificate of Analysis	Jan 04, 2024	H133955
C2218619	Certificate of Analysis	Jan 04, 2024	H133955

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Chemical and Physical Properties

Solubility	Soluble in alcohol.
Refractive Index	1.42
Flash Point(°F)	45°C(lit.)
Flash Point(°C)	45°C(lit.)
Boil Point(°C)	135 °C
Molecular Weight	102.170 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	102.104 Da
Monoisotopic Mass	102.104 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	35.200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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