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1-[4-(propan-2-yl)phenyl]but-3-en-1-ol, also known as 4-isopropyltoluene-3-en-1-ol, is an organic compound characterized by a but-3-en-1-ol backbone with a phenyl group at position 1 and a propan-2-yl substituent at position 4 of the phenyl ring. This molecule has a molecular formula of C11H14O and a molecular weight of 162.23 g/mol. It is a colorless liquid with a distinct aromatic odor and is insoluble in water but soluble in organic solvents. 1-[4-(propan-2-yl)phenyl]but-3-en-1-ol is primarily used as a fragrance ingredient in the perfumery industry, as well as a chemical intermediate in the synthesis of various pharmaceuticals and agrochemicals. Due to its complex structure and functional groups, it exhibits unique chemical properties and reactivity, making it a valuable compound in the field of organic chemistry.

5416-56-8

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5416-56-8 Usage

Chemical class

Phenyl butyl ethers

Physical state

Colorless to pale yellow liquid

Odor

Slightly floral

Application

Used as a fragrance ingredient in cosmetic and personal care products

Molecular weight

190.28 g/mol

Toxicity

Moderately toxic if ingested

Skin and eye irritation

May cause irritation upon contact

Flammability

Flammable

Storage and handling

Should be stored and handled with caution

Check Digit Verification of cas no

The CAS Registry Mumber 5416-56-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,1 and 6 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5416-56:
(6*5)+(5*4)+(4*1)+(3*6)+(2*5)+(1*6)=88
88 % 10 = 8
So 5416-56-8 is a valid CAS Registry Number.

5416-56-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-propan-2-ylphenyl)but-3-en-1-ol

1.2 Other means of identification

Product number -
Other names Allyl-p-cumyl-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:5416-56-8 SDS

5416-56-8Relevant academic research and scientific papers

Organocatalytic Asymmetric Synthesis of Cyclic Acetals with Spirooxindole Skeleton

Shikari, Amit,Mandal, Koushik,Chopra, Deepak,Pan, Subhas Chandra

supporting information, p. 58 - 63 (2021/11/09)

An organocatalytic asymmetric synthesis of cyclic acetal with spirooxindole skeleton has been developed via a domino reaction between isatin and γ-hydroxy enones. Bifunctional squaramide catalyst with adamantyl motif was found to be the most effective for the cascade reaction. With 10 mol% of the catalyst, the desired products were obtained in 1.8:1 to 9:1 diastereo- and 86% to >99% enantioselectivities from a range of substituted isatins and γ-hydroxy enones. (Figure presented.).

Regioselective Synthesis of Arylsulfonyl Benzophenones via Aerobic Oxidative [3+3] Benzannulation Reactions

Yadav, Deepak,Joshi, Prabhakar R.,Sharma, Sunil K.,Menon, Rajeev S.

, p. 6370 - 6374 (2020/10/19)

Regioselective synthesis of 3-arylsulfonyl benzophenone derivatives via base mediated, aerial-oxidative [3+3] benzannulation of α,β-unsaturated aldehydes and 4-sulfonyl butenones is reported. A variety of readily available acyclic building blocks are tran

Copper-Impregnated Magnesium-Lanthanum Mixed Oxide: A Reusable Heterogeneous Catalyst for Allylation of Aldehydes and Ketones

Laha, Soumi,Likhar, Pravin R.,Pogula, Jaya,Sreedhar, B.

supporting information, (2020/02/11)

Copper-impregnated magnesium-lanthanum mixed oxide [Cu(II)/Mg?La] was used as catalyst in synthesis of homoallylic alcohols from aldehydes and ketones using allyltributylstannane as the allylating source. The present protocol provides a great application

Copper-Catalyzed Aerobic Cyclization of β,γ-Unsaturated Hydrazones with Concomitant CC Bond Cleavage

Fan, Zhenwei,Feng, Jiahao,Hou, Yuchen,Rao, Min,Cheng, Jiajia

supporting information, p. 7981 - 7985 (2020/11/02)

A Cu-catalyzed aerobic oxidative cyclization of β,γ-unsaturated hydrazones for the preparation of pyrazole derivatives has been developed. The hydrazonyl radical promoted the cyclization, along with a concomitant CC bond cleavage of β,γ-unsaturated hydrazones. This process has been verified via several control experiments, including a radical-trapping study, an 18O-labeling method, and the identification of the possible byproducts. The advantages of this reaction include operational simplicity, a broad reaction scope, and a mild selective reaction process.

Green Organocatalytic Dihydroxylation of Alkenes

Theodorou, Alexis,Triandafillidi, Ierasia,Kokotos, Christoforos G.

, p. 1502 - 1509 (2017/04/01)

An inexpensive, green, metal-free one-pot procedure for the dihydroxylation of alkenes is described. H2O2 and 2,2,2-trifluoroacetophenone were employed as the oxidant and organocatalyst, respectively, in this highly sustainable protocol in which a variety of homoallylic alcohols, aminoalkenes, and simple alkenes were converted into the corresponding polyalcohols in good to excellent yields. This process takes advantage of an epoxidation reaction followed by an acidic treatment in which water participates in the ring opening of the in situ prepared epoxide to lead to the desired product.

Copper-mediated oxysulfonylation of alkenyl oximes with sodium sulfinates: a facile synthesis of isoxazolines featuring a sulfone substituent

Wang, Li-Jing,Chen, Manman,Qi, Lin,Xu, Zhidong,Li, Wei

supporting information, p. 2056 - 2059 (2017/02/15)

A novel and efficient Cu(OAc)2-mediated oxysulfonylation of alkenyl oximes with sodium sulfonates was developed. The reactions are easy to conduct, occur under mild conditions, and form a broad range of sulfone-substituted isoxazolines in good yields.

Green organocatalytic synthesis of isoxazolines via a one-pot oxidation of allyloximes

Triandafillidi, Ierasia,Kokotos, Christoforos G.

supporting information, p. 106 - 109 (2017/11/27)

A green, sustainable, organocatalytic, and efficient synthesis of isoxazolines from allyloximes was developed. A 2,2,2-trifluoroacetophenone-catalyzed oxidation of allyloximes, utilizing H2O2 as the green oxidant, was taken advantage of in order to introduce a cheap and environmentally friendly protocol for the synthesis of substituted isoxazolines. A variety of substitution patterns, both aromatic and aliphatic moieties, are well tolerated, leading to isoxazolines in moderate to excellent yields.

Organocatalytic Redox Isomerization of Electron-Deficient Allylic Alcohols: Synthesis of 1,4-Ketoaldehydes

Mondal, Keshab,Mondal, Buddhadeb,Pan, Subhas Chandra

, p. 4835 - 4840 (2016/07/06)

An organocatalytic redox isomerization strategy has been developed for the synthesis of 1,4-ketoaldehydes. DABCO was found to be the best catalyst for the isomerization of -hydroxy enones. With 20 mol % of DABCO as catalyst and DMSO as the solvent high yi

[Bmim] [Br] as a solvent and activator for the ga-mediated barbier allylation: Direct formation of an N -heterocyclic carbene from Ga metal

Goswami, Dibakar,Chattopadhyay, Angshuman,Sharma, Anubha,Chattopadhyay, Subrata

, p. 11064 - 11070 (2013/02/22)

The room-temperature ionic liquid (RTIL) [bmim][Br] has been found to be an excellent green and inexpensive medium for the Ga-mediated allylation of aromatic and aliphatic aldehydes and ketones. The RTIL activated the metal via formation of a Ga-N-heteroc

Rhodium-catalyzed reductive allylation of conjugated aldehydes with allyl acetate

Vasylyev, Maksym,Alper, Howard

supporting information; experimental part, p. 2710 - 2713 (2010/07/17)

Reductive allylation of aryl and alkenyl aldehydes with allyl acetate catalyzed by the ionic diamine carbonyl rhodium complex, [Rh(TMEDA)(CO) 2][RhCl2(CO)2], under a carbon monoxide atmosphere afforded the corresponding homoallylic alcohols in good isolated yields.

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