Cas no 815-77-0 (Isobutyroin)

Isobutyroin structure

Product Name:Isobutyroin

CAS No:815-77-0

MF:C₈H₁₆O₂

MW:144.211442947388

MDL:MFCD00008920

CID:721820

PubChem ID:229406

Update Time:2025-04-19

Isobutyroin Chemical and Physical Properties

Names and Identifiers

- 3-Hexanone,4-hydroxy-2,5-dimethyl-
- Isobutyroin
- 4-hydroxy-2,5-dimethylhexan-3-one
- 2,5-Dimethyl-4-hydroxy-3-hexanone
- 2,5-dimethyl-4-hydroxyhexan-3-one
- 4-Hydroxy-2,5-dimethyl-3-hexanone
- 4-Hydroxy-2,5-dimethyl-hexan-3-on
- 4-hydroxy-2,5-dimethyl-hexan-3-one
- Isopropyl-isobutyryl-carbinol
- SMYRRYXXNJLYLY-UHFFFAOYSA
- NSC23088
- SMYRRYXXNJLYLY-UHFFFAOYSA-
- SMYRRYXXNJLYLY-UHFFFAOYSA-N
- 4-Hydroxy-2,5-dimethyl-3-hexanone #
- 2,5-Dimethyl-4-hydroxyhexane-3-one;4-Hydroxy-2,5-dimethyl-3-hexanone
- FT-0699022
- SB84377
- DTXSID30281800
- CS-0326356
- AKOS006282835
- 815-77-0
- SCHEMBL107645
- AS-40060
- InChI=1/C8H16O2/c1-5(2)7(9)8(10)6(3)4/h5-7,9H,1-4H3
- NSC-23088
- MFCD00008920
- 2,5-Dimethyl-4-hydroxyhexan-3-one; 2,5-Dimethylhexan-3-ol-4-one; 4-Hydroxy-2,5-dimethyl-3-hexanone; NSC 23088
- MDL： MFCD00008920
- Inchi： 1S/C8H16O2/c1-5(2)7(9)8(10)6(3)4/h5-7,9H,1-4H3
- InChI Key： SMYRRYXXNJLYLY-UHFFFAOYSA-N
- SMILES： OC(C(C(C)C)=O)C(C)C

Computed Properties

Exact Mass: 144.11500
Monoisotopic Mass: 144.115029749g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 10
Rotatable Bond Count: 3
Complexity: 116
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 37.3
XLogP3: 1.7

Experimental Properties

PSA: 37.30000
LogP: 1.22840

Isobutyroin Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	I907067-1g	Isobutyroin	815-77-0	95%	1g	2,104.20	2021-05-17
TRC	I780060-10mg	Isobutyroin	815-77-0		10mg	$ 190.00	2023-09-07
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eNovation Chemicals LLC	D753665-100mg	4-Hydroxy-2,5-dimethyl-3-hexanone	815-77-0	95%	100mg	$190	2024-06-07
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1PlusChem	1P0038VY-100mg	4-Hydroxy-2,5-dimethyl-3-hexanone	815-77-0	95%	100mg	$275.00	2024-04-21
1PlusChem	1P0038VY-250mg	4-Hydroxy-2,5-dimethyl-3-hexanone	815-77-0	95%	250mg	$521.00	2025-02-19

Isobutyroin Production Method

Production Method 1

815-77-0

79137-95-4

Reaction Conditions

1.1 Reagents: Triethylamine Catalysts: 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride Solvents: Ethanol ; 16 h, 300 MPa, 80 °C

Reference

Effect of pressure on Stetter reactions: synthesis of hindered aliphatic acyloins and γ-ketonitriles

Gacem, B.; Jenner, G., High Pressure Research, 2004, 24(2), 233-236

Isobutyroin Preparation Products

Isobutyroin Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:815-77-0)Isobutyroin

Order Number:A846402

Stock Status:in Stock

Quantity:100mg

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 07:09

Price ($):385.0

Email:[email protected]

Product Official Link

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2. Excitation energies from ground-state density-functionals by means of generator coordinates

A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
3. Dissolved oxygen sensor based on fluorescence quenching of oxygen-sensitive ruthenium complexes immobilized in sol–gel-derived porous silica coatings

Analyst, 1996,121, 785-788
4. Emerging investigator series: first-principles and thermodynamics comparison of compositionally-tuned delafossites: cation release from the (001) surface of complex metal oxides?

Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
5. Fe3O4 nanosphere@microporous organic networks: enhanced anode performances in lithium ion batteries through carbonization?

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