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3-Heptanol - >98.0%(GC), high purity , CAS No.589-82-2

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3-Heptanol - >98.0%(GC), high purity , CAS No.589-82-2

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 589-82-2
Molecular Weight: 116.2
MDL number: MFCD00004586
PubChem CID: 11520
PubChem SID: 488181368

In stock

Item Number

H156872

Grouped product items
SKU	Size	Availability	Price
H156872-5ml	5ml	3	$12.90
H156872-25ml	25ml	4	$49.90
H156872-100ml	100ml	2	$177.90
H156872-500ml	500ml	1	$529.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

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)
Shipped In	Normal
Product Description	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.

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	Fatty alcohols
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	488181368
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181368
IUPAC Name	heptan-3-ol
INCHI	InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKey	RZKSECIXORKHQS-UHFFFAOYSA-N
Smiles	CCCCC(CC)O
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=

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.

17 results found

Lot Number	Certificate Type	Date	Item
D2530180	Certificate of Analysis	Jun 28, 2024	H156872
D2530181	Certificate of Analysis	Jun 28, 2024	H156872
D2530182	Certificate of Analysis	Jun 28, 2024	H156872
D1915035	Certificate of Analysis	Feb 07, 2023	H156872
L2209530	Certificate of Analysis	Dec 27, 2022	H156872
I2320416	Certificate of Analysis	Oct 28, 2022	H156872
I2320417	Certificate of Analysis	Oct 28, 2022	H156872
I2320414	Certificate of Analysis	Oct 28, 2022	H156872
I2320415	Certificate of Analysis	Oct 28, 2022	H156872
D2402024	Certificate of Analysis	Aug 10, 2022	H156872
K2205253	Certificate of Analysis	Aug 10, 2022	H156872
K2205254	Certificate of Analysis	Aug 10, 2022	H156872
K2205224	Certificate of Analysis	Aug 10, 2022	H156872
K2205252	Certificate of Analysis	Aug 10, 2022	H156872
K2205300	Certificate of Analysis	Aug 10, 2022	H156872
K2205307	Certificate of Analysis	Aug 10, 2022	H156872
K2205306	Certificate of Analysis	Aug 10, 2022	H156872

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Chemical and Physical Properties

Refractive Index	1.4180-1.4230
Flash Point(°F)	140 °F
Flash Point(°C)	60°C(lit.)
Boil Point(°C)	66 °C/20 mmHg
Molecular Weight	116.200 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	116.12 Da
Monoisotopic Mass	116.12 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	43.700
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

Citations of This Product

How to Cite Aladdin Scientific Products?

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, 390 (213).

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