5468-79-1

Usage

Classification

Diol

Function

Fragrance ingredient

Usage

Personal care products (perfumes, soaps, lotions)

Properties

Pleasant floral scent, antibacterial, antifungal

Chemical structure

Seven-carbon alkyl chain attached to a propane-1,3-diol backbone

Hydrophobic tail

Long

Hydrophilic groups

Two hydroxyl groups

Applications

Skincare products, pharmaceuticals, cosmetics

Upstream product

• 111-71-7 heptanal 
• 16501-24-9 S,S'-diethyl dithiomalonate 
• 629-04-9 1-Bromoheptane 
• 105-53-3 diethyl malonate 
• 138458-94-3 2-(1E-heptenyl)-1,3-propanediol 
• 138435-97-9 ((E)-2-Hept-1-enyl)-malonic acid diethyl ester 
• 133490-80-9 (E)-1-Acetoxy-2-(acetoxymethyl)-3-nonene 
• 51615-31-7 heptylidene-malonic acid diethyl ester 
• 629-06-1 1-Chloroheptane 
• 133490-82-1 Acetic acid 2-acetoxymethyl-nonyl ester 
• 607-83-0 diethyl heptylmalonate 

Downstream Products

• 74800-74-1 5-Heptyl-2-(4-hexyl-phenyl)-[1,3]dioxane 
• 81220-94-2 5-Heptyl-2-(4-hexyl-phenyl)-[1,3]dioxane 
• 81220-95-3 5-Heptyl-2-(4-heptyl-phenyl)-[1,3]dioxane 
• 81220-95-3 5-Heptyl-2-(4-heptyl-phenyl)-[1,3]dioxane 
• 75552-42-0 5-Heptyl-2-(4-hexyloxy-phenyl)-[1,3]dioxane 
• 81221-20-7 5-Heptyl-2-(4-hexyloxy-phenyl)-[1,3]dioxane 
• 95759-38-9 4-[(E)-2-(5-Heptyl-[1,3]dioxan-2-yl)-vinyl]-benzonitrile 
• 74800-81-0 Pentanoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 81221-29-6 Pentanoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 90863-28-8 4-(5-Heptyl-[1,3]dioxan-2-yl)-benzoic acid 4-cyano-phenyl ester 
• 81221-46-7 4-(5-Heptyl-[1,3]dioxan-2-yl)-benzoic acid 4-cyano-phenyl ester 
• 74800-82-1 Carbonic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester pentyl ester 
• 74800-82-1 Carbonic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester pentyl ester 
• 95400-64-9 trans 2-(p-cyanophenyl)-5-(n-heptyl)-1,3-oxathiane 

Relevant academic research and scientific papers

Mesogenic, optical, and dielectric properties of 5-substituted 2-[12-(4-pentyloxyphenyl)-p-carboran-1-yl] [1,3]dioxanes

Two homologous series of carborane-containing dioxanes 1[n] and 2[n] (n = 1-10) were prepared and their mesogenic properties investigated. All compounds exhibit nematic behavior and three members of series 2[n] show an E phase. Numerical analysis of the clearing temperatures gave a limiting value T NI(∞) of 89 °C for series 2[n] and indicated conformational flexibility of the dioxane ring. Investigations of three-ring derivative 1[4] gave Δn = 0.17, S = 0.53, and Δε = +0.4 ± 0.1 at 85 °C. Extrapolation of dielectric data for dilute solutions of 1[4] in 6-CHBT gave Δε = +0.4 ± 0.25 at 24 °C. Modelling of dielectric results with the Maier-Meier equation demonstrated that conformers with a higher β angle are preferred, which is consistent with conformational selection for the most elongated conformers. The Royal Society of Chemistry 2006.

The synthesis and electro-optic properties of liquid crystalline 2- (2,3-difluorobiphenyl-4'-yl)-1,3-dioxanes

Fifty-six novel alkyl and/or alkoxy disubstituted 2-(2,3- difluorobiphenyl-4'-yl)-1,3-dioxanes (DFBPD) were prepared. Smectic C and nematic mesophases were exhibited by most of the alkyl-alkoxy homologues. Conversely, most of the dialkyl compounds exhibited smectic C, smectic A and nematic phases. The birefringence (Δn), dielectric anisotropy (Δε), spontaneous polarisation and response times of two ferroelectric mixtures formulated from the dioxanyl systems were determined. The birefringence results were compared with eight other groups of mixtures where the materials were based on different core systems. The overall electro-optic properties of the DFBPDs were found to be comparable to the best of the eight most commonly used materials in ferroelectric display devices.

Dioxane derivatives

Dioxane derivatives for use as components in liquid crystal devices (LCDs) of general formula (A), wherein X is CH or B; R1, R2 are each A1, OA1, OCOA2, or COOA2 ; A1 is a straight or branched chain alkyl group containing from 1 to 20 carbon atoms and may be substituted with one or more F or CN. A2 is a straight or branched chain alkyl group containing from 1 to 20 carbon atoms and may be substituted with one or more F or CN and if straight may be unsubstituted. Y1, Y2, Y3 may each be (CH2)p, (CH2)p COO or OCO(CH2)p ; p is from 0 to 10, n is 0 or 1, m is 0 or 1, either or both of Z1 and Z2 are F and, when not F, are H; Y4 is a covalent bond or, when n is 0, may be (a) LCDs, containing the devices exhibit very fast switching speed, bi-stable characteristics, enhanced greyscale and storage capabilities and a wide viewing angle.

Chemoenzymatic Preparation of Asymmetrized Tris(hydroxymethyl)methane (THYM*) and of Asymmetrized Bis(hydroxymethyl)acetaldehyde (BHYMA*) as New Highly Versatile Chiral Building Blocks

A series of asymmetrized tris(hydroxymethyl)methanes 2 and bis(hydroxymethyl)acetaldehydes 3 have been prepared in both enantiomeric forms through a chemoenzymatic methodology.The key step is the highly enantioselective PPL-catalyzed monohydrolysis of 2(E)-alkenyl-1,3-diacetoxypropanes 25-27.A careful study on the effect of unsaturations adjacent to the prochiral center in a series of 2-substituted 1,3-diacetoxypropanes has confirmed the suggested beneficial effect of a ? system in that position but has also unveiled an unprecedented dramatic effect of double-bond configuration on enantioselectivity.A new empirical model for the interpretation of these and other results, based both on polarity and steric arguments, is proposed.This study provides a general protocol for the efficient synthesis of asymmetrized 1,3-propanediols bearing in position 2 saturated or unsaturated carbon chains.

Optically active pyrimidines derivatives

Optical active compounds of the formula (1), (2), (3) and (4): STR1 The compounds (1), (2) and (3) are useful as raw materials of chiral dopants to be added for forming liquid crystal compositions, medicines or agricultural chemicals, and the compound (4)

Thiol esters in organic synthesis XVII. S,S'-diethyl dithiomalonate as masked ethanol carbanion and 1,3-diol equivalent in the Knoevenagel condensation

S,S'-Diethyl dithiomalonate (1) has been shown to be a useful reagent in the Knoevenagel condensation with aldehydes, using DABCO as the base. The resultant products can be reduced either to 1,3-diols by use of sodium borohydride or to ethanol derivatives using Raney Nickel.

LIQUID CRYSTAL MATERIALS WITH SULFUR ATOMS INCORPORATED IN THE PRINCIPAL STRUCTURE: 1. NEW LIQUID CRYSTAL COMPOUNDS WITH 1,3-DITHIANE RING.

2-(p-Substituted phenyl)-5-alkyl-1,3-dithianes, new liquid crystals, were synthesized by the thioacetalization of the corresponding aldehydes and dithiols. These compounds have characteristic supercooling states, exhibit monotropic liquid crystal phases even in the case of long terminal alkyl substituents. The mesomorphic characteristics of these compounds were different from those of the corresponding 1,3-dioxanes, this must originate in the difference in the molecular width caused by the difference in the atomic volume between sulfur and oxygen.

Mesomorphic Phenyl Benzoate and 1,3-Dioxane Derivatives Bearing Terminal Vinyl Group

4-Alkylphenyl 2-chloro-4-(4-vinylbenzoyloxy) benzoates and 2-phenyl-1,3-dioxane derivatives with terminal vinyl groups were synthesized.Most of the novel compounds obtained possess characteristic mesomorphic ranges.

Liquid-crystalline Heterocycloalkanes. I. Synthesis and Properties of Substituted 1,3-Dioxanes

The synthesis of 2,5-disubstituted 1,3-dioxanes is described, their melting and clearing points and their physical properties (dielectric anisotropy, viscosity, transition enthalpies, optical birefringence) are investigated.The cyano substituted 1,3-dioxanes 5 and 7 are valuable materials for application in displays.