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2-Heptanol is a clear, colorless alcohol with a mild alcohol odor, a brassy, herbaceous odor reminiscent of lemon, and a fruity, green, somewhat bitter taste. It has a density of approximately 6.8 lb/gal, is insoluble in water, and has a flash point of 130°F. It is soluble in most organic liquids and has a boiling point of 320.7°F. It is moderately toxic and is one isomer of heptanol.

543-49-7

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543-49-7 Usage

Uses

Used in Analytical Chemistry:
2-Heptanol is used as an analytical standard for the determination of the analyte in volatile compound mixtures, fruit samples, and aqueous samples by various chromatography techniques.
Used in Flavoring and Perfumery:
2-Heptanol is used as a flavoring agent and in perfumery due to its distinct odor and taste.
Used in Synthetic Resins:
2-Heptanol is used as a solvent for synthetic resins.
Used in Ore Flotation:
2-Heptanol is used as a frothing agent in ore flotation.
Used in Plasticizer, Pharmacy, Fragrance, and Wetting Agent:
2-Heptanol can be used as the intermediate of plasticizer, pharmacy, fragrance, and wetting agent.
Used as a Co-Solvent:
2-Heptanol can be used as a co-solvent to be supplemented to nitro-lacquer solvent.
Occurrence:
2-Heptanol is reported to be found in various sources such as apple, banana, berries, grapes, strawberry jam, coconut, coconut milk, cooked potato, clove bud, ginger, cheeses, fried beef, chicken fat, cognac, beer, hop oil, brandy, rum, grape wines, cocoa, coffee, tea, flberts, honey, soybeans, Arctic bramble, passion fruit and juices, beans, mushrooms, calamus, buckwheat, sweet corn, malt, curcuma, mastic gum leaf oil, and other sources.

References

[1] Giersch, Wolfgang. "Use of 2,5,6,-trimethyl-2-heptanol as a perfuming and a flavoring agent." (2004). [2] Weng, Wen Lu, et al. "Vapor–liquid equilibria for nitrogen with 2-hexanol, 2-heptanol, or 2-octanol binary systems." Fluid Phase Equilibria 248.2(2006):168-173. [3] Whitmore, Frank C., and T. Otterbacher. 2‐Heptanol. Organic Syntheses. John Wiley & Sons, Inc. 2003:60-60.

Preparation

From amyl magnesium bromide and acetaldehyde; by reduction of amyl methyl ketone with sodium metal alcohol; by the action of Penicillium palitans on peanut oil.

Synthesis Reference(s)

Journal of the American Chemical Society, 89, p. 1522, 1967 DOI: 10.1021/ja00982a043The Journal of Organic Chemistry, 43, p. 4255, 1978 DOI: 10.1021/jo00415a065

Air & Water Reactions

Flammable. Insoluble in water.

Reactivity Profile

METHYLAMYL CARBINOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Hazard

Moderate fire risk.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Check Digit Verification of cas no

The CAS Registry Mumber 543-49-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,4 and 3 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 543-49:
(5*5)+(4*4)+(3*3)+(2*4)+(1*9)=67
67 % 10 = 7
So 543-49-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1

543-49-7 Well-known Company Product Price

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  • Alfa Aesar

  • (A18391)  (±)-2-Heptanol, 98%   

  • 543-49-7

  • 50g

  • 315.0CNY

  • Detail
  • Alfa Aesar

  • (A18391)  (±)-2-Heptanol, 98%   

  • 543-49-7

  • 250g

  • 843.0CNY

  • Detail

543-49-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Heptanol

1.2 Other means of identification

Product number -
Other names rac-2-heptanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:543-49-7 SDS

543-49-7Relevant academic research and scientific papers

Iron(III) Complexation with Galactodendritic Porphyrin Species and Hydrocarbons’ Oxidative Transformations

Castro, Kelly A. D. F.,Westrup, Kátia C. M.,Silva, Sandrina,Pereira, Patrícia M. R.,Sim?es, Mário M. Q.,Neves, Maria da Gra?a P. M. S.,Cavaleiro, José A. S.,Tomé, Jo?o P. C.,Nakagaki, Shirley

, p. 2857 - 2869 (2021/07/14)

The iron metalation of the known free-base porphyrins H2P2 and H2P3, obtained by structural modification of the well-known TPPF20 (H2P1) with galactose dendritic units, gave the corresponding iron(III) porphyrin complex FeP2 and the solid hybrid material FeP3S. Their synthesis, characterization and catalytic efficacy toward the oxidation of the organic substrates (Z)-cyclooctene, cyclohexane and heptane, are reported. In this work, the possibility to modulate selectivity and chemical efficiency of the catalytic system by using simple and more sophisticated metalloporphyrins is demonstrated. Furthermore, the presence of the galactose dendrimer units at the meso-porphyrin ring positions can tune the oxidation at the terminal positions in linear alkanes. In addition, the FeP3S material was easily recovered and reused at least 3 times for the cyclooctene oxidation. The catalytic performance of material FeP3S, associated with their possibility of reuse, makes this material a promising catalyst.

Well-defined Cp*Co(III)-catalyzed Hydrogenation of Carbonates and Polycarbonates

Dahiya, Pardeep,Gangwar, Manoj Kumar,Sundararaju, Basker

, p. 934 - 939 (2020/12/15)

We herein report the catalytic hydrogenation of carbonates and polycarbonates into their corresponding diols/alcohols using well-defined, air-stable, high-valent cobalt complexes. Several novel Cp*Co(III) complexes bearing N,O-chelation were isolated for the first time and structurally characterized by various spectroscopic techniques including single crystal X-ray crystallography. These novel Co(III) complexes have shown excellent catalytic activity to produce value added diols/alcohols from carbonate and polycarbonates through hydrogenation using molecular hydrogen as sole reductant or iPrOH as transfer hydrogenation source. To demonstrate the developed methodology's practical applicability, we have recycled the bisphenol A monomer from compact disc (CD) through hydrogenation under the established reaction conditions using phosphine-free, earth-abundant, air- and moisture-stable high-valent cobalt catalysts.

Robust Mn(iii): N -pyridylporphyrin-based biomimetic catalysts for hydrocarbon oxidations: heterogenization on non-functionalized silica gel versus chloropropyl-functionalized silica gel

Pinto, Victor Hugo A.,Falc?o, Nathália K. S. M.,Mariz-Silva, Bárbara,Fonseca, Maria Gardennia,Rebou?as, Júlio S.

supporting information, p. 16404 - 16418 (2020/12/03)

Two classes of heterogenized biomimetic catalysts were prepared and characterized for hydrocarbon oxidations: (1) by covalent anchorage of the three Mn(iii) meso-tetrakis(2-, 3-, or 4-pyridyl)porphyrin isomers by in situ alkylation with chloropropyl-functionalized silica gel (Sil-Cl) to yield Sil-Cl/MnPY (Y = 1, 2, 3) materials, and (2) by electrostatic immobilization of the three Mn(iii) meso-tetrakis(N-methylpyridinium-2, 3, or 4-yl)porphyrin isomers (MnPY, Y = 4, 5, 6) on non-modified silica gel (SiO2) to yield SiO2/MnPY (Y = 4, 5, 6) materials. Silica gel used was of column chromatography grade and Mn porphyrin loadings were deliberately kept at a low level (0.3% w/w). These resulting materials were explored as catalysts for iodosylbenzene (PhIO) oxidation of cyclohexane, n-heptane, and adamantane to yield the corresponding alcohols and ketones; the oxidation of cyclohexanol to cyclohexanone was also investigated. The heterogenized catalysts exhibited higher efficiency and selectivity than the corresponding Mn porphyrins under homogeneous conditions. Recycling studies were consistent with low leaching/destruction of the supported Mn porphyrins. The Sil-Cl/MnPY catalysts were more efficient and more selective than SiO2/MnPY ones; alcohol selectivity may be associated with hydrophobic silica surface modification reminiscent of biological cytochrome P450 oxidations. The use of widespread, column chromatography, amorphous silica yielded Sil-Cl/MnPY or SiO2/MnPY catalysts considerably more efficient than the corresponding, previously reported materials with mesoporous Santa Barbara Amorphous No 15 (SBA-15) silica. Among the materials studied, in situ derivatization of Mn(iii) 2-N-pyridylporphyrin by covalent immobilization on Sil-Cl to yield Sil-Cl/MnP1 showed the best catalytic performance with high stability against oxidative destruction and reusability/recyclability.

Regioselective C-H hydroxylation of: N -alkanes using Shilov-type Pt catalysis in perfluorinated micro-emulsions

De Vos, Dirk E.,Janssen, Michiel

, p. 1264 - 1272 (2020/03/23)

Shilov-chemistry inspired catalysis has remained largely overlooked as a tool for establishing the remote hydroxylation of non-polar compounds, such as long linear alkanes, due to the need for an acidic aqueous solution. To circumvent the solubility issue, the concept of micellar catalysis is introduced, using PtII in perfluorinated micro-emulsions. Notably, the terminal C-H activation of n-heptane is demonstrated under an oxygen atmosphere using perfluorooctanoic acid (PFOA) as a surfactant, along with the intrinsic ability of PtII to convert the highly inert primary C-H bonds. Coordination of PtII to the carboxylate groups of PFOA proved to be particularly important for achieving maximum catalyst activity towards the hydrocarbon substrate solubilized inside the micelle interior. Based on these insights, optimization of the reaction parameters allowed a positional selectivity of 60% for 1-heptanol, among the C7 alcohols, to be achieved, using low catalyst and surfactant loadings under acid-free conditions.

Efficient Transfer Hydrogenation of Ketones Catalyzed by a Phosphine-Free Cobalt-NHC Complex

Ibrahim, Jessica Juweriah,Reddy, C. Bal,Fang, Xiaolong,Yang, Yong

, p. 4429 - 4432 (2020/07/04)

A simple phosphine-free cobalt-NHC pincer complex has been synthesized and utilized for the transfer hydrogenation of ketones with 2-propanol as hydrogen donor. A broad range of ketones varying from aromatic, aliphatic and heterocyclic were effectively reduced to their corresponding alcohols in moderate to excellent yields with good tolerance of functional groups.

1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds

Johnson, Jahvon,Li, Sihan,Mo, Zixuan,Neary, Michelle C.,Zeng, Haisu,Zhang, Guoqi,Zheng, Shengping

, p. 2610 - 2615 (2020/03/05)

Reductive catalysis with earth-abundant metals is currently of increasing importance and shows potential in replacing precious metal catalysis. In this work, we revealed catalytic hydroboration and hydrosilylation of ketones and aldehydes achieved by a structurally defined manganese(ii) coordination polymer (CP) as a precatalyst under mild conditions. The manganese-catalysed methodology can be applied to a range of functionalized aldehydes and ketones with turnover numbers (TON) of up to 990. Preliminary results on the regioselective catalytic hydrofunctionalization of styrenes by the Mn-CP catalyst are also presented.

Synthesis and catalytic applications of Ru and Ir complexes containing N,O-chelating ligand

Pakyapan, Bilge,Kavukcu, Serdar Bat?kan,?ahin, Zarife Sibel,Türkmen, Hayati

, (2020/09/01)

A series of monometallic complexes (Ru1–3, Ir1–3) which have N,O-chelating ligand (pyrazine-2-carboxylate (1), pyridine-2-carboxylate (2), quinoline carboxylate(3) and bimetallic complexes (Ru4,5, Ir4,5) bridged by pyrazine-2,3- dicarboxylate (4) and imidazole-4,5-dicarboxylate(5) were synthesized and characterized by 1H-, 13C NMR, FT-IR, and elemental analysis. The crystal structure of Ir2 was determined by X-ray crystallography. The complexes (Ru1–5, Ir1–5) were applied to investigate the electronic and steric effect of ligand in their catalytic activities in transfer hydrogenation and alpha(α)-alkylation reaction of ketones with alcohols. The activities of iridium complexes (Ir1–5) were much more efficient than ruthenium complexes (Ru1–5). The highest activity for both reactions was observed for the complex (Ir2) with pyridine-2-carboxylate. The Ir hydride species was monitored for both reactions.

Lithium Bromide/HBpin: A Mild and Effective Catalytic System for the Selective Hydroboration of Aldehydes and Ketones

An, Duk Keun,Choi, Hyeon Seong,Hwang, Hyonseok,Kim, Hanbi,Lee, Ji Hye,Shin, Hye Lim,Yi, Jaeeun

, p. 1009 - 1018 (2020/10/12)

The catalytic hydroboration of aldehydes and ketones with HBpin was examined using simple and commercially available metal salts (Li, Na, and K). Among the tested salts, LiBr (0.5–1.0 mol%) was found to be an efficient catalyst for the hydroboration of various aldehydes and ketones at room temperature. Further, the chemoselective hydroboration of aldehydes over ketones was also demonstrated.

Erratum: Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C=X (X = O, N) Functionalities (Journal of the American Chemical Society (2019) 141:38 (15230-15239) DOI: 10.1021/jacs.9b07062)

Zhang, Guoqi,Wu, Jing,Zheng, Shengping,Neary, Michelle C.,Mao, Jincheng,Flores, Marco,Trovitch, Ryan J.,Dub, Pavel A.

supporting information, p. 16507 - 16509 (2020/10/14)

Pages 15232, 15233, and 15236. In the original paper, the doublet wave functions for 21 and 21a/21b were incorrectly (Figure Presented). reported as spin-contaminated in sections 2.3 and 2.8 (Figure 3 and Scheme 9, respectively.) This comes from the incorrectly reported expected eigenvalue of 0.75 for the spin-squared operator ??2? for the antiferromagnetically coupled doublet |↓?L|↑↑?V state (originally given in the Supporting Information). The correct expected eigenvalue for the |↓?L|↑↑?V state should be 1.75. The wave functions for 21 and 21a/21b (eigenvalues 1.79 and 1.77/1.66, respectively) are therefore not spincontaminated. The corrected Figure 3 and Scheme 9 are presented below. A corrected Supporting Information file is also provided. The corrections do not affect any of the conclusions of the Article, but slightly decrease the gap between the quartet and doublet spin surfaces. Scheme 3 has been also corrected to reflect the fact that (CH3)3SiCH2 ? radicals can only react based on spin conservation.

DMSO-Triggered Complete Oxygen Transfer Leading to Accelerated Aqueous Hydrolysis of Organohalides under Mild Conditions

Liu, Haicheng,Liu, Jianping,Cheng, Xiaokai,Jia, Xiaojuan,Yu, Lei,Xu, Qing

, p. 2994 - 2998 (2019/01/04)

Addition of DMSO is found to greatly accelerate the aqueous hydrolysis of organohalides to alcohols, providing a neutral, more efficient, milder and more economic process. Mechanistic studies using 18O-DMSO and 18O-H2O showed that, contrary to the opinion that DMSO works as a dipolar solvent to enhance water's nucleophilicity, the accelerating effect comes from a complete oxygen transfer from DMSO to organohalides through generation of ROS+Me2?X? salts through C?O bond formation, followed by O?S bond disassociative hydrolysis of ROS+Me2?X? with water. This method is applicable to a wide range of organohalides and thus may have potential for practical industrial application, owing to easy recovery of DMSO from the H2O/DMSO mixture by regular vacuum rectification.

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