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4-Heptanone - 98%, high purity , CAS No.123-19-3

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4-Heptanone - 98%, high purity , CAS No.123-19-3

6 Citations

COA

Grade & Purity:

≥98%

Cas Number: 123-19-3
Molecular Weight: 114.19
Beilstein Registry Number: 1699049
EC Number: 204-608-9
MDL number: MFCD00009403
PubChem CID: 31246
PubChem SID: 488183147

In stock

Item Number

H103840

Grouped product items
SKU	Size	Availability	Price
H103840-25ml	25ml	8	$15.90
H103840-100ml	100ml	5	$54.90
H103840-250ml	250ml	2	$123.90
H103840-500ml	500ml	1	$221.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	AI3-15181 \| 4-Heptanone, 98% \| Butyrone \| Dipropyl ketone \| dipropylketon \| WLN: 3V3 \| AKOS000118993 \| MFCD00009403 \| UN2710 \| 4-01-00-03323 (Beilstein Handbook Reference) \| BBL009715 \| EINECS 204-608-9 \| FT-0618576 \| LMFA12000118 \| AMY3807 \| (n-C3H7)2CO
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Product Description： 4-Heptanone is a volatile constituent of human urine. Product Application： 4-Heptanone is used as a solvent for nitrocellulose as well as in organic synthesis. It is involved in the preparation of flavorings. It is used as an intermediate in the synthesis of active pharmaceutical ingredients. Further, it is used in paints and coatings. 4-Heptanone was used in the quantitative analysis of 4-Heptanone in urine samples by gas chromatography-mass spectrometry. 4-Heptanone was used to evaluate the enantioselectivity and catalytic ability of the 4-hydroxyacetophenone monooxygenase from Pseudomonas fluorescens ACB.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
External Descriptors	Oxygenated hydrocarbons
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	488183147
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183147
IUPAC Name	heptan-4-one
INCHI	InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
InChIKey	HCFAJYNVAYBARA-UHFFFAOYSA-N
Smiles	CCCC(=O)CCC
Isomeric SMILES	CCCC(=O)CCC
WGK Germany	2
RTECS	MJ5600000
UN Number	2710
Packing Group	III
Molecular Weight	114.19
Beilstein	1699049
Reaxy-Rn	1699049
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699049&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.

16 results found

Lot Number	Certificate Type	Date	Item
J2409896	Certificate of Analysis	Apr 26, 2024	H103840
D2014104	Certificate of Analysis	Feb 21, 2024	H103840
E2325523	Certificate of Analysis	May 13, 2023	H103840
E2325599	Certificate of Analysis	May 13, 2023	H103840
E2325519	Certificate of Analysis	May 13, 2023	H103840
E2325515	Certificate of Analysis	May 13, 2023	H103840
E2325602	Certificate of Analysis	May 13, 2023	H103840
E2325592	Certificate of Analysis	May 13, 2023	H103840
L2206523	Certificate of Analysis	Nov 24, 2022	H103840
L2206553	Certificate of Analysis	Nov 24, 2022	H103840
L2206533	Certificate of Analysis	Nov 24, 2022	H103840
H2219239	Certificate of Analysis	Jun 20, 2022	H103840
H2219240	Certificate of Analysis	Jun 20, 2022	H103840
H2219241	Certificate of Analysis	Jun 20, 2022	H103840
H2219242	Certificate of Analysis	Jun 20, 2022	H103840
D2314078	Certificate of Analysis	Jun 20, 2022	H103840

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Chemical and Physical Properties

Solubility	Miscible with alcohol, ligroin and ether. Immiscible with water.
Refractive Index	1.407
Flash Point(°F)	120.2 °F
Flash Point(°C)	48℃
Boil Point(°C)	145°C
Melt Point(°C)	-33°C
Molecular Weight	114.190 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	114.104 Da
Monoisotopic Mass	114.104 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	58.800
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Zhao Yang, Yan Xiong, Ting Li, Zhiqing Yang, Bing Hui Chen. (2024) Boosting acetone hydrogenation at room temperature on Ru-Sn/C catalyst. CATALYSIS COMMUNICATIONS, 186 (106822).
2. Shanshan Shao, Pengfei Zhang, Xianliang Xiang, Xiaohua Li, Huiyan Zhang. (2022) Promoted ketonization of bagasse pyrolysis gas over red mud-based oxides. RENEWABLE ENERGY, 190 (11).
3. Sijia Hao, Yayu Yang, Ailing Han, Jianan Chen, Xiaoyu Luo, Guozhen Fang, Jifeng Liu, Shuo Wang. (2022) Glycosides and Their Corresponding Small Molecules Inhibit Aggregation and Alleviate Cytotoxicity of Aβ40. ACS Chemical Neuroscience, 13 (6): (766–775).
4. Zhenyu Lu, Xiaotian Lu, Ling Xia, Yanhui Zhong, Gongke Li, Yufei Hu. (2021) Cobalt doped nitrogenous porous carbon derived from covalent organic framework as cataluminescence catalyst for rapid determination of n-hexane in edible oil. TALANTA, 232 (122428).
5. Hongyan Wang, Zixuan Li, Yin Liu, Linfeng Cui, Bo Liu. (2024) Refinement of non-covalent interactions via hetero-seeded self-assembly for the pathway complexity control of perylene derivatives. Surfaces and Interfaces, 54 (105257).
6. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang. (2024) Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde. ACS Applied Nano Materials, 7 (16): (19056-19064).

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