Hexylene Glycol

Base Information

• Chemical Name: Hexylene Glycol
• CAS No.: 107-41-5
• Deprecated CAS: 99113-75-4
• Molecular Formula: C6H14O2
• Molecular Weight: 118.176
• Hs Code.: 29053910
• European Community (EC) Number: 203-489-0
• ICSC Number: 0660
• NSC Number: 8098
• UN Number: 1993
• UNII: KEH0A3F75J
• DSSTox Substance ID: DTXSID5021885
• Nikkaji Number: J3.614E
• Wikipedia: 2-Methyl-2,4-pentanediol
• Wikidata: Q2792203
• NCI Thesaurus Code: C77469
• RXCUI: 1305548
• ChEMBL ID: CHEMBL2104293
• Mol file: 107-41-5.mol

Synonyms:2-methyl-2,4-pentanediol;2-methylpentane-2,4-diol;hexylene glycol;hexylene glycol, titanium(4+) salt

Chemical Property of Hexylene Glycol

Chemical Property:

• Appearance/Colour: Oily colorless liquid with a mild sweet odor
• Vapor Pressure: 0.02 mm Hg ( 20 °C)
• Melting Point: -40 °C(lit.)
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 197.5 °C at 760 mmHg
• PKA: 15.10±0.29(Predicted)
• Flash Point: 93.9 °C
• PSA: 40.46000
• Density: 0.922 g/cm³
• LogP: 0.52820
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: H2O: 1 M at 20 °C, clear, colorless
• Water Solubility.: soluble
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 68.9

Purity/Quality:

99.9% ^*data from raw suppliers

Hexylene glycol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(CC(C)(C)O)O
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.
• Description: 2-Methyl-2,4-pentanediol (MPD) is a diol organic compound with a chiral carbon atom. It is a colorless liquid at room temperature and can be Diacetone alcohol is hydrogenated. The appearance is colorless liquid with mild sweetness. It is miscible with water, soluble in ethanol, and soluble in most organic solvents.
• Uses: 2-Methyl-2,4-pentanediol (MPD) is a fine chemical product with a wide range of uses, which can be used in pesticides, biochemical engineering, photosensitive materials, synthetic fragrances and other fields. 2-Methyl-2,4-pentanediol is a highly soluble high-grade organic solvent. It can be used as an additive in the production of metal surface treatment agents for rust and oil removal. It can also be used as a textile auxiliaries, as well as coatings and latex paints. It can also be used in cosmetics, as a pesticide stabilizer, but also as a daily chemical moisturizer, flavor and fragrance raw materials, hydraulic oil, high-temperature lubricating oil, brake oil, dry cleaning agent, printing ink, pigment dispersant, wood preservative etc. As penetrant, emulsifier and antifreeze. Hexylene Glycol is used as a reagent in the synthesis of functionalized boronic esters. it is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography. Also used in the preparation of vinylboronates. It is mainly used as a coupling agent and an additive to hydraulic fluids, inks and cement. Further, it is used as a solvent for cleaning and colorant products. It is a potential substitute for glycol ethers. It is an effective shrinkage reduction admixture or SRA for concrete and mortar. It can also be used as a building block in chemical synthesis. Hexylene glycol is a key solvent in many markets such as paints & coatings, metal working fluids, detergency, cosmetics & fragrances, textiles & leather.It is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids. It acts as a thickening agent in cosmetic products. It is also employed as a blood volume expander. hexylene glycol could be considered a solubilizer. Fuel and lubricant additive; solvent in cosmetics; solvent in petroleum refining; coupling agent in hydraulic brake fluid and printing inks; gasoline anti-icer additive (^+)-2-Methyl-2,4-pentanediol is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids. It acts as a thickening agent in cosmetic products. It serves as a coupling agent and an additive to hydraulic fluids, inks and cement. It is also employed as a blood volume expander. Further, it is used as a solvent for cleaning and colorant products. In addition to this, it is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.

Technology Process of Hexylene Glycol

There total 24 articles about Hexylene Glycol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-Hydroxy-4-methyl-2-pentanone (123-42-2) → 2-methyl-2,4-pentanediol (107-41-5)

Guidance literature:

With hydrogen; In water; at 120 ℃; for 3h; under 7500.75 Torr; Reagent/catalyst; Temperature; Pressure; Solvent;

Reference yield: 95.0%

2,2-Diisopropyl-4,4,6-trimethyl-[1,3,2]dioxasilinane (85272-42-0) → 2-methyl-2,4-pentanediol (107-41-5)

Guidance literature:

With hydrogen fluoride; In acetonitrile; at 25 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)85735-4

Reference yield: 89.0%

7,7,9-Trimethyl-5,8,9,11-tetrahydro-7H-6,10-dioxa-benzocyclononene (127392-17-0) → 2-methyl-2,4-pentanediol (107-41-5)

Guidance literature:

With hydrogen; palladium hydroxide - carbon; In ethanol; under 760 Torr;

upstream raw materials:

4-Hydroxy-4-methyl-2-pentanone

acetone

2-methyl-3,4-pentadien-2-ol

1.3-butanediol

Downstream raw materials:

4,4,6-trimethyl-[1,3]dioxane

1,3,5-trimethylcyclohexene

2-ethoxy-4,4,6-trimethyl-1,3,2-dioxaborinane

2,4-diacetoxy-2-methylpentan

Refernces

• 1、 Snyder. "". . p. 2904. Retrieved 1967.
• 2、 Barata-Vallejo, Sebastian,Bobrowski, Krzysztof,Chatgilialoglu, Chryssostomos,Ferreri, Carla,Marciniak, Bronislaw,Skotnicki, Konrad. "Biomimetic ketone reduction by disulfide radical anion". . . Retrieved 2021/09/13.
• 3、 Xie, Hao,Guo, Jiandong,Wang, Yu-Quan,Wang, Ke,Guo, Peng,Su, Pei-Feng,Wang, Xiaotai,Shu, Xing-Zhong. "Radical dehydroxylative alkylation of tertiary alcohols by Ti catalysis". supporting information. p. 16787 - 16794. Retrieved 2020/11/09.