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3-ISOPROPYL-4-METHYL-1-PENTYN-3-OL, commonly known as IPMP, is a colorless liquid chemical compound with the molecular formula C8H14O. It possesses a strong, pungent odor and is soluble in organic solvents. This versatile compound is valued for its floral and fruity scent, making it a popular ingredient in various applications.

5333-87-9

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5333-87-9 Usage

Uses

Used in Cosmetic and Personal Care Products:
3-ISOPROPYL-4-METHYL-1-PENTYN-3-OL is used as a fragrance ingredient for its floral and fruity scent, enhancing the sensory experience of cosmetic and personal care products.
Used in Flavoring Industry:
In the flavoring industry, 3-ISOPROPYL-4-METHYL-1-PENTYN-3-OL is used as a flavoring agent to impart a unique taste to food and beverage products.
Used in Pharmaceutical Production:
3-ISOPROPYL-4-METHYL-1-PENTYN-3-OL is utilized in the production of pharmaceuticals, contributing to the development of various medicinal formulations.
Used in Household Cleaning and Sanitizing Products:
Leveraging its antimicrobial properties, 3-ISOPROPYL-4-METHYL-1-PENTYN-3-OL is used in some household cleaning and sanitizing products to ensure a hygienic environment.
It is crucial to handle 3-ISOPROPYL-4-METHYL-1-PENTYN-3-OL with care due to its potential to cause skin and eye irritation, and its harmful effects if ingested or inhaled.

Check Digit Verification of cas no

The CAS Registry Mumber 5333-87-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,3 and 3 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5333-87:
(6*5)+(5*3)+(4*3)+(3*3)+(2*8)+(1*7)=89
89 % 10 = 9
So 5333-87-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H16O/c1-6-9(10,7(2)3)8(4)5/h1,7-8,10H,2-5H3

5333-87-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methyl-3-propan-2-ylpent-1-yn-3-ol

1.2 Other means of identification

Product number -
Other names 3-i-propyl-4-methyl-1-pentyn-3-ol

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:5333-87-9 SDS

5333-87-9Relevant academic research and scientific papers

Structural information from OH stretching frequencies-XI. The orientation of the hydroxyl group in tertiary α-ethynyl alcohols

Visser, T.,Maas, J. H. Van der

, p. 241 - 244 (1983)

The presence of different OH-rotamers in 11 tertiary α-ethynyl alcohols dissolved in CCl4 has been studied by means of the i.r. absorption band.In all compounds the hydroxyl appears to be present only in a position next to the triple bond.It is demonstrated that this phenomenon arises from OH...? interactions.The existence of OH...? hydrogen bonding could not unambiguously be established.Like in saturated compounds the orientation of the OH proves to be influenced by β- and γ-CH3 groups.

Fluoride-assisted activation of calcium carbide: A simple method for the ethynylation of aldehydes and ketones

Hosseini, Abolfazl,Seidel, Daniel,Miska, Andreas,Schreiner, Peter R.

supporting information, p. 2808 - 2811 (2015/06/16)

The fluoride-assisted ethynylation of ketones and aldehydes is described using commercially available calcium carbide with typically 5 mol % of TBAF·3H2O as the catalyst in DMSO. Activation of calcium carbide by fluoride is thought to generate an acetylide "ate"-complex that readily adds to carbonyl groups. Aliphatic aldehydes and ketones generally provide high yields, whereas aromatic carbonyls afford propargylic alcohols with moderate to good yields. The use of calcium carbide as a safe acetylide ion source along with economic amounts of TBAF·3H2O make this procedure a cheap and operationally simple method for the preparation of propargylic alcohols.

Synthesis of acetylenic alcohols with calcium carbide as the acetylene source

Sum, Yin Ngai,Yu, Dingyi,Zhang, Yugen

supporting information, p. 2718 - 2721 (2013/10/08)

Propargyl alcohols containing a terminal alkyne group are highly important and versatile intermediates. Here, we report the synthesis of these compounds from an inexpensive and renewable resource, calcium carbide (CaC2). No metal catalysts are required in this new protocol and the reactions take place under very mild conditions.

Synthesis of alkyne derivatives of a novel triazolopyrazine as A 2A adenosine receptor antagonists

Yao, Gang,Haque, Serajul,Sha, Li,Kumaravel, Gnanasambandam,Wang, Joy,Engber, Thomas M.,Whalley, Eric T.,Conlon, Patrick R.,Chang, Hexi,Kiesman, William F.,Petter, Russell C.

, p. 511 - 515 (2007/10/03)

A novel [1,2,4]triazolo[1,5-a]pyrazine core was synthesized and coupled with terminal acetylenes. The structure-activity relationship of the alkynes from this novel template was studied for their in vitro and in vivo adenosine A2A receptor antagonism. Selected compounds from this series were shown to have potent in vitro and in vivo activities against adenosine A 2A receptor. Compound 12, in particular, was found to be orally active at 3 mg/kg in both a mouse catalepsy model and a 6-hydroxydopamine- lesioned rat model.

Rearrangements of bridged diallenes. A facile synthesis of novel condensed heterocycles by tandem [3,3]-sigmatropic rearrangement and double intramolecular michael addition of diallenyl disulfides and diselenides. Isolation of stable diallenyl diselenides

Braverman, Samuel,Freund, Meir

, p. 5759 - 5776 (2007/10/02)

Thienothiophene 14 and selenoloselenophene 16 have been synthesized by the action of lithium methoxide on τ,τ-dimethylallenyl thiocyanate and selenocyanate, respectively. A multistep mechanism involving bis-τ,τ-dimethylallenyl disulfide (20) or diselenide as key intermediates, is suggested. The latter are believed to undergo consecutive 3,3]-sigmatropic rearrangement and double Michael addition, to the observed products. This mechanism is supported by the isolation of bis-τ,τ- diisopropylallenyl and bis-τ-methyl-τ-isopropylallenyl diselenides, under the same reaction conditions, and the rearrangement of the latter to the expected selenoloseleophene 33. The synthesis of the novel mixed selenolothiophene 35 by treatment of a mixture of allenyl thiocyanate 13 and selenocyanate 15 with lithium methoxide, is also described.

The reaction of some propargyl alcohols with benzeneselenenyl chloride

Garratt, Dennis G.,Beaulieu, Pierre L.,Morisset, Veronique M.

, p. 927 - 934 (2007/10/02)

The reaction of benzeneselenenyl chloride with twenty-two propargyl alcohols in methylene chloride solution is reported.Products of both Markownikoff and anti-Markownikoff regiochemistry are formed in an anti stereospecific manner.The regioselectivity or specificity is found to be very dependent upon the nature of the substituents geminal to the alcoholic moiety.In general the presence of bulky substituents geminal to the alcoholic moiety tend to favour formation of the anti-Markownikoff adduct under conditions of kinetic control.The Markownikoff adducts are found to be favoured thermodynamically.

Preparation of a Series of Highly Hindered Secondary Amines, Including Bis(triethylcarbinyl)amine

Kopka, Ihor E.,Fataftah, Zacharia A.,Rathke, Michael W.

, p. 4616 - 4622 (2007/10/02)

A series of highly branched secondary amines was prepared by coupling propargylamines with propargyl chlorides.Hydrogenation of the resultant dipropargylamines was accomplished with Raney nickel in the presence of potassium hydroxide.The resultant amines, including bis(triethylcarbinyl)amine, are among the most hindered secondary amines reported to date.The pKa values of the conjugate acids of the series of secondary amines exhibit a regular decrease with increasing size of the amine.The bulkier members of the series are inert to methyl iodide.Bis(triethylcarbinyl)amine reacts with boron trifluoride etherate to give a primary amine adduct and 3-ethyl-2-pentene.

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