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4-Heptanol - >97.0%(GC), high purity , CAS No.589-55-9

COA

Grade & Purity:

≥97%(GC)

Cas Number: 589-55-9
Molecular Weight: 116.2
Beilstein Registry Number: 1(4)1743
MDL number: MFCD00021934
PubChem CID: 11513
PubChem SID: 488181366

In stock

Item Number

H156873

Grouped product items
SKU	Size	Availability	Price
H156873-5ml	5ml	3	$13.90
H156873-25ml	25ml	3	$50.90
H156873-100ml	100ml	4	$147.90

View related series

alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	SCHEMBL22249 \| AKOS000249481 \| 4-Heptyl Alcohol \| CH3(CH2)2CHOH(CH2)2CH3 \| NSC8695 \| NSC-8695 \| A928716 \| H10221 \| NSC 8695 \| BS-23251 \| n-Heptan-4-ol \| YVBCULSIZWMTFY-UHFFFAOYSA- \| di-n-Propylcarbinol \| SY050912 \| YG7B8091BP \| 4-HEPTANOL \| UNII-YG7B8091B
Specifications & Purity	≥97%(GC)
Shipped In	Normal

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

Names and Identifiers

Pubchem Sid	488181366
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181366
IUPAC Name	heptan-4-ol
INCHI	InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChIKey	YVBCULSIZWMTFY-UHFFFAOYSA-N
Smiles	CCCC(CCC)O
Isomeric SMILES	CCCC(CCC)O
Molecular Weight	116.2
Beilstein	1(4)1743
Reaxy-Rn	1731665
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731665&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.

12 results found

Lot Number	Certificate Type	Date	Item
E2117161	Certificate of Analysis	Mar 04, 2025	H156873
E2117162	Certificate of Analysis	Mar 04, 2025	H156873
D2321100	Certificate of Analysis	Mar 28, 2023	H156873
D2321098	Certificate of Analysis	Mar 28, 2023	H156873
D2320817	Certificate of Analysis	Mar 28, 2023	H156873
D2321106	Certificate of Analysis	Mar 28, 2023	H156873
D2321099	Certificate of Analysis	Mar 28, 2023	H156873
D2320814	Certificate of Analysis	Mar 28, 2023	H156873
B2307285	Certificate of Analysis	Jul 29, 2022	H156873
I2201583	Certificate of Analysis	Jul 29, 2022	H156873
I2201584	Certificate of Analysis	Jul 29, 2022	H156873
I2201585	Certificate of Analysis	Jul 29, 2022	H156873

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Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°F)	57°C(lit.)
Flash Point(°C)	57°C(lit.)
Boil Point(°C)	155 °C
Melt Point(°C)	-42°C(lit.)
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	37.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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