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2,3-DIMETHYL-3-PENTANOL, also known as 2,3-dimethylpentan-3-ol, is an organic compound with the molecular formula C7H16O. It is a colorless liquid with a distinctive odor and is characterized by its two methyl groups at the 2nd and 3rd carbon atoms and a hydroxyl group at the 3rd carbon atom. This chemical structure endows 2,3-DIMETHYL-3-PENTANOL with unique properties and potential applications in various industries.

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  • 595-41-5 Structure
  • Basic information

    1. Product Name: 2,3-DIMETHYL-3-PENTANOL
    2. Synonyms: 2,3-Dimethyl-3-pentanol 99%;ETHYLISOPROPYLMETHYLCARBINOL;3,4-DIMETHYL-3-PENTANOL;2,3-DIMETHYL-3-PENTANOL;2,3-dimethylpentan-3-ol;11,3-DI METHYL-3-PENTANOL;1,3-DIMETHYL-3-PENTANOL
    3. CAS NO:595-41-5
    4. Molecular Formula: C7H16O
    5. Molecular Weight: 116.2
    6. EINECS: 209-866-6
    7. Product Categories: Oxygen Compounds;Alcohols;C7 to C8
    8. Mol File: 595-41-5.mol
  • Chemical Properties

    1. Melting Point: -30.45°C (estimate)
    2. Boiling Point: 140 °C(lit.)
    3. Flash Point: 105 °F
    4. Appearance: /
    5. Density: 0.833 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 2.83mmHg at 25°C
    7. Refractive Index: n20/D 1.428(lit.)
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Water Solubility: 16.14g/L(25 oC)
    11. CAS DataBase Reference: 2,3-DIMETHYL-3-PENTANOL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2,3-DIMETHYL-3-PENTANOL(595-41-5)
    13. EPA Substance Registry System: 2,3-DIMETHYL-3-PENTANOL(595-41-5)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 10-36/37/38
    3. Safety Statements: 16-26-36/37/39
    4. RIDADR: UN 1987 3/PG 3
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 3.2
    8. PackingGroup: III
    9. Hazardous Substances Data: 595-41-5(Hazardous Substances Data)

595-41-5 Usage

Uses

Used in Environmental Monitoring:
2,3-DIMETHYL-3-PENTANOL is used as a test compound for evaluating the uptake rates of different compounds with various polarities by polydimethylsiloxane-based permeation passive air samplers. This application is crucial in environmental monitoring and assessment, as it helps determine the efficiency of air sampling devices in capturing and analyzing volatile organic compounds (VOCs) in the atmosphere.
In this context, 2,3-DIMETHYL-3-PENTANOL serves as a benchmark for understanding the behavior of other compounds with similar or different polarities, allowing researchers and environmental scientists to optimize air sampling techniques and improve the accuracy of pollution monitoring.
Used in Chemical Research:
2,3-DIMETHYL-3-PENTANOL can also be utilized as a starting material or intermediate in the synthesis of various chemicals and compounds. Its unique structure makes it a valuable building block for the development of new molecules with potential applications in pharmaceuticals, agrochemicals, and other specialty chemicals.
In the field of chemical research, 2,3-DIMETHYL-3-PENTANOL is used as a synthetic precursor for the preparation of various derivatives, enabling the exploration of new chemical reactions and the discovery of novel compounds with specific properties and functions.
Used in Flavor and Fragrance Industry:
Due to its distinctive odor, 2,3-DIMETHYL-3-PENTANOL can be employed as a component in the flavor and fragrance industry. It can be used to create or enhance the aroma of various consumer products, such as perfumes, colognes, and scented candles. Additionally, it may be used to impart specific flavor profiles to the food and beverage industry, contributing to the development of unique taste experiences.
In the Flavor and Fragrance Industry, 2,3-DIMETHYL-3-PENTANOL is used as a fragrance ingredient and flavoring agent for [creating or enhancing specific aromas and taste profiles] in various consumer products.
Used in Industrial Solvents:
Given its solubility properties, 2,3-DIMETHYL-3-PENTANOL can be utilized as a solvent in various industrial processes. It may be employed in the cleaning, degreasing, and extraction of materials, as well as in the formulation of coatings, inks, and adhesives.
In the Industrial Solvents Application, 2,3-DIMETHYL-3-PENTANOL is used as a cleaning agent, degreaser, and extraction solvent for [removing contaminants, facilitating material processing, and improving product performance] in various manufacturing processes.

Check Digit Verification of cas no

The CAS Registry Mumber 595-41-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 5 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 595-41:
(5*5)+(4*9)+(3*5)+(2*4)+(1*1)=85
85 % 10 = 5
So 595-41-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H16O/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3

595-41-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3-dimethylpentan-3-ol

1.2 Other means of identification

Product number -
Other names Methyl-aethyl-isopropyl-carbinol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:595-41-5 SDS

595-41-5Relevant articles and documents

ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS

-

, (2020/05/21)

The present invention relates to the use of an ether or an ester of a tertiary alkanol or of mixtures of two or more ethers or esters of tertiary alkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aromachemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an ether or an ester of tertiary alkanol or of mixtures of two or more ethers or esters of tertiary alkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific ethers or esters of tertiary alkanols.

Controllable Intramolecular Unactivated C(sp3)-H Amination and Oxygenation of Carbamates

Guo, Qihang,Ren, Xiang,Lu, Zhan

supporting information, p. 880 - 884 (2019/05/16)

Dual catalyst-controlled intramolecular unactivated C(sp3)-H amination and oxygenation of carbamates merging visible-light photocatalysis and earth-abundant transition metal catalysis have been reported. Useful amino alcohol and diol derivatives could be selectively obtained from readily available tertiary alcohol derivatives. The possible mechanisms have been proposed via a 1,5-HAT process followed by Lewis acid-controlled cyclization. The nickel and zinc catalysts inhibit the formation of oxygenation and amination products, respectively. An interesting phenomenon of chirality transfer is also observed.

Electrochemical alkyl transfer reactions of trialkylborane to carbonyl compounds by use of copper sacrificial anode

Choi, Jung Hoon,Youm, Jong Sung,Cho, Cheon-Gyu,Czae, Myung-Zoon,Hwang, Book Kee,Kim, Jung Sung

, p. 4835 - 4838 (2007/10/03)

Alkyl groups in trialkylboranes were successfully transferred to carbonyl compounds in the presence of the platinum cathode and copper anode by electrochemical method. The new, mild electrochemical alkyl transfer reaction produced various substituted alcohols in good yields.

Stereochemistry of Aliphatic Carbocations, 14. Alkyl Shifts from Secondary to Primary Carbon Atoms

Kirmse, Wolfgang,Guenther, Bernd-Rainer,Knist, Johannes,Kratz, Sigrid,Loosen, Karin,et al.

, p. 2127 - 2139 (2007/10/02)

Alkyl shifts from secondary to primary carbon atoms have been induced by the nitrous acid deamination of suitable amines (4, 22, 39, 51); they include sequential rearrangements (-CH3,CH3 and -CH3,H).Predominant although incomplete inversion at the migration origin has been observed (Me 70percent, Et 62-64percent, nPr 65percent, iPr 64percent, tBu 55percent).Our results require the intervention of open secondary carbocations which may be preceded by less stable bridged intermediates.

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