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2-methylbutane-1,4-diol, also known as tetramethylene glycol or 2,3-dihydroxy-2-methylbutane, is a colorless, odorless liquid chemical compound with the molecular formula C5H12O2. It is a diol, characterized by the presence of two hydroxyl groups, and features a methyl group on the second carbon atom in the chain. 2-methylbutane-1,4-diol is commonly used as a solvent and as a building block in the synthesis of other chemicals.

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  • 2938-98-9 Structure
  • Basic information

    1. Product Name: 2-methylbutane-1,4-diol
    2. Synonyms: 2-methylbutane-1,4-diol;1,4-Butanediol, 2-methyl-;2-Methyl-1,4-butanediol;2-methyl-4-butanediol;NSC 91489
    3. CAS NO:2938-98-9
    4. Molecular Formula: C5H12O2
    5. Molecular Weight: 104.14758
    6. EINECS: 220-925-5
    7. Product Categories: N/A
    8. Mol File: 2938-98-9.mol
  • Chemical Properties

    1. Melting Point: 50.86°C (estimate)
    2. Boiling Point: 126-127℃
    3. Flash Point: 98.9±13.0℃
    4. Appearance: /
    5. Density: 1.4497 g/cm3 (20 ºC)
    6. Vapor Pressure: 0.0392mmHg at 25°C
    7. Refractive Index: 1.45 (589.3 nm 18℃)
    8. Storage Temp.: Refrigerator
    9. Solubility: Chloroform (Slightly)
    10. PKA: 14.91±0.10(Predicted)
    11. Stability: Unstable in Aqueous Solution
    12. CAS DataBase Reference: 2-methylbutane-1,4-diol(CAS DataBase Reference)
    13. NIST Chemistry Reference: 2-methylbutane-1,4-diol(2938-98-9)
    14. EPA Substance Registry System: 2-methylbutane-1,4-diol(2938-98-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2938-98-9(Hazardous Substances Data)

2938-98-9 Usage

Uses

Used in Pharmaceutical Industry:
2-methylbutane-1,4-diol is used as a solvent and intermediate in the synthesis of various pharmaceutical compounds due to its ability to dissolve a wide range of substances and facilitate chemical reactions.
Used in Cosmetics Industry:
In the cosmetics industry, 2-methylbutane-1,4-diol is used as a solvent for various cosmetic formulations, helping to dissolve and stabilize active ingredients, as well as contributing to the product's texture and consistency.
Used in Chemical Manufacturing:
2-methylbutane-1,4-diol is utilized as a building block in the synthesis of other chemicals, such as polymers and resins, due to its reactive hydroxyl groups and its ability to form stable linkages with other molecules.
It is important to handle 2-methylbutane-1,4-diol with care, as it can be hazardous if not properly managed.

Check Digit Verification of cas no

The CAS Registry Mumber 2938-98-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,9,3 and 8 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 2938-98:
(6*2)+(5*9)+(4*3)+(3*8)+(2*9)+(1*8)=119
119 % 10 = 9
So 2938-98-9 is a valid CAS Registry Number.
InChI:InChI=1/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3

2938-98-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,4-Butanediol,2-methyl-

1.2 Other means of identification

Product number -
Other names 2-methyl-1,4-dihydroxybutane

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:2938-98-9 SDS

2938-98-9Relevant articles and documents

Incorporation of 2-C-methyl-D-erythritol, a putative isoprenoid precursor in the mevalonate-independent pathway, into ubiquinone and menaquinone of Escherichia coli

Duvold, Tore,Cali, Patrizia,Bravo, Jean-Michel,Rohmer, Michel

, p. 6181 - 6184 (1997)

Incorporation of deuterium labelled 2-C-methyl-D-erythritol into isoprenoid side-chains of ubiquinone and menaquinone from Escherichia coli strongly supports the proposed intermediate role of this branched sugar derivative in the mevalonate independent pathway for isoprenoid biosynthesis via glyceraldehyde 3-phosphate and pyruvate.

MOF-derived hcp-Co nanoparticles encapsulated in ultrathin graphene for carboxylic acids hydrogenation to alcohols

Dong, Mei,Fan, Weibin,Gao, Xiaoqing,Zhu, Shanhui

, p. 201 - 211 (2021/06/03)

Highly efficient conversion of carboxylic acids to valuable alcohols is a great challenge for easily corroded non-noble metal catalysts. Here, a series of few-layer graphene encapsulated metastable hexagonal closed-packed (hcp) Co nanoparticles were fabricated by reductive pyrolysis of metal-organic framework precursor. The sample pyrolyzed at 400 °C (hcp-Co@G400) presented outstanding performance and stability for converting a variety of functional carboxylic acids and its turnover frequency was one magnitude higher than that of conventional facc-centered cubic (fcc) Co catalysts. In situ DRIFTS spectroscopy of model reaction acetic acid hydrogenation and DFT calculation results confirm that carboxylic acid initially undergoes dehydroxylation to RCH2CO* followed by consecutive hydrogenation to RCH2CH2OH through RCH2COH*. Acetic acid prefers to vertically adsorb at hcp-Co (0 0 2) facet with a much lower adsorption energy than parallel adsorption at fcc-Co (1 1 1) surface, which plays a key role in decreasing the activation barrier of the rate-determining step of acetic acid dehydroxylation.

Hydroformylation reaction ligand, hydroformylation catalyst and diol preparation method

-

Paragraph 0077-0078, (2021/06/22)

The invention discloses a hydroformylation reaction ligand, a hydroformylation catalyst and a diol preparation method According to the invention, the structural formula of the hydroformylation reaction ligand is shown in the specification, wherein R1 and R2 are mutually independent one of H, aryl or substituted aryl, thienyl, pyrrolyl, thiazolyl, imidazolyl and pyridyl; the ligand disclosed by the invention is high in catalytic activity and good in metal active center stability, by-products of aldehyde in a conventional hydroformylation reaction can be reduced, and linear diol with a high normal/isomer ratio can be obtained by a one-step method; and the method has the advantages of simple and convenient process, low cost and energy consumption, good production safety, high product quality and the like, and is particularly suitable for large-scale industrial production.

METHOD FOR PRODUCING ALCOHOL

-

Paragraph 0101-0110, (2020/11/26)

PROBLEM TO BE SOLVED: To provide a method for producing selectively alcohol from carboxylic acid under mild conditions. SOLUTION: In the presence of a catalyst with M1 and M2 as metal species supported on a support, a substrate is reduced to produce a corresponding alcohol. (M1 is Rh, Pt, Ru, Ir, or Pd; M2 is Sn, V, Mo, W, or Re; the support is ZrO2, hydroxyapatite, Nb2O5, fluoroapatite, or hydrotalcite; the substrate is the formula 1a, 1b, or 1c). SELECTED DRAWING: None COPYRIGHT: (C)2020,JPO&INPIT

SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY

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Paragraph 0561, (2020/02/14)

The present disclosure relates to novel sulfonimidamide compounds and related compounds and their use in treating a disorder responsive to modulation of cytokines such as IL-1β and IL-18, modulation of NLRP3 or inhibition of the activation of NLRP3 or related components of the inflammatory process. (I)

(Meth) acrylic ester and manufacturing method thereof (by machine translation)

-

Paragraph 0058, (2019/12/04)

(Meth) acrylic acid ester of [be] hydrophobic properties. (1) (Meth) acrylic ester represented by the formula [a]. R1 Is H or methyl; R3 Alkyl, cycloalkyl, aryl or aralkyl; R21 , R22 , R23 Each independently is H, alkyl or cycloalkyl is not one of at least 2 H; Z1 The divalent chain hydrocarbon substituted of unsubstituted C1 a-20/2, 2 // hetero-substituted of unsubstituted C1 a-20 free of divalent cyclic hydrocarbon or a single bond; Z2 The divalent chain hydrocarbon of C1 c 12 2, Z3 The (R21 R22 R23 ) Coupled with a free cyclic hydrocarbon containing heteroatoms C C - C3 d 10/forming atomic group; n is an integer of 0 - 3; m is an integer of 1 - 18[Drawing] no (by machine translation)

A Diaminopropane Diolefin Ru(0) Complex Catalyzes Hydrogenation and Dehydrogenation Reactions

Casas, Fernando,Trincado, Monica,Rodriguez-Lugo, Rafael,Baneerje, Dipshikha,Grützmacher, Hansj?rg

, p. 5241 - 5251 (2019/11/16)

New ruthenium (0) complexes with a cooperative diolefin diaminopropane (DAP) or the dehydrogenated iminopropenamide ligand (IPA) were synthesized for comparison with their diaminoethane (DAE)/ diazadiene (DAD) ruthenium analogues. These DAP/IPA complexes are efficient catalysts in dehydrogenation reactions of alkaline aqueous methanol which proceeds under mild conditions (T=70 °C) and of higher alcohols, forming the corresponding carbonate and carboxylates, respectively. The scope of the reaction includes an example of a 1,2-diol as model for biomass derived alcohols. Their catalytic applications are extended to the atom-efficient dehydrogenative coupling of alcohols and amines to amides. The reaction proceeds without any additives and is applicable to the synthesis of formamides from methanol. Moreover, DAP/IPA complexes catalyze the hydrogenation of a series of esters, lactone, ketone, activated olefin, aldehyde and imine substrates. The diaminopropane Ru catalyst exhibits higher activity compared to the dehydrogenated β-ketiminate (IPA) and previously studied DAD/DAE based catalysts. We present studies on their stoichiometric reactivity with relevance to their possible catalytic mechanisms and the isolation and full characterization of key reaction intermediates.

Stereoselective synthesis of alicyclic ketones: A hydrogen borrowing approach

Armstrong, Roly J.,Akhtar, Wasim M.,Frost, James R.,Christensen, Kirsten E.,Stevenson, Neil G.,Donohoe, Timothy J.

supporting information, (2019/11/13)

A highly diastereoselective annulation strategy for the synthesis of alicyclic ketones from diols and pentamethylacetophenone is described. This process is mediated by a commercially available iridium(III) catalyst, and provides efficient access to a wide range of cyclopentane and cyclohexane products with high levels of stereoselectivity. The origins of diastereoselectivity in the annulation reaction have been explored by a series of control experiments, which provides an explanation for how each stereocentre around the newly forged ring is controlled.

Synthesis and complete structure determination of a sperm-activating and -attracting factor isolated from the ascidian ascidia sydneiensis

Watanabe, Tomohiro,Shibata, Hajime,Ebine, Makoto,Tsuchikawa, Hiroshi,Matsumori, Nobuaki,Murata, Michio,Yoshida, Manabu,Morisawa, Masaaki,Lin, Shu,Yamauchi, Kosei,Sakai, Ken,Oishi, Tohru

, p. 985 - 997 (2018/05/04)

For the complete structure elucidation of an endogenous sperm-activating and -attracting factor isolated from eggs of the ascidian Ascidia sydneiensis (Assydn-SAAF), its two possible diastereomers with respect to C-25 were synthesized. Starting from ergosterol, the characteristic steroid backbone was constructed by using an intramolecular pinacol coupling reaction and stereoselective reduction of a hydroxy ketone as key steps, and the side chain was introduced by Julia-Kocienski olefination. Comparison of the NMR data of the two diastereomers with those of the natural product led to the elucidation of the absolute configuration as 25S; thus the complete structure was determined and the first synthesis of Assydn-SAAF was achieved.

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