5468-79-1

Basic information

• Product Name: 2-heptylpropane-1,3-diol
• CAS NO: 5468-79-1
• Molecular Formula: C₁₀H₂₂O₂
• Molecular Weight: 174.2805
• Mol File: 5468-79-1.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 283.8°C at 760 mmHg
• Flash Point: 128.3°C
• Density: 0.922g/cm³
• Vapor Pressure: 0.000358mmHg at 25°C
• Refractive Index: 1.456
• CAS DataBase Reference: 2-heptylpropane-1,3-diol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-heptylpropane-1,3-diol(5468-79-1)
• EPA Substance Registry System: 2-heptylpropane-1,3-diol(5468-79-1)

Safety Data

• Hazardous Substances Data: 5468-79-1(Hazardous Substances Data)

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

• 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 
• 111-71-7 heptanal 
• 629-06-1 1-Chloroheptane 
• 133490-82-1 Acetic acid 2-acetoxymethyl-nonyl ester 
• 16501-24-9 S,S'-diethyl dithiomalonate 
• 607-83-0 diethyl heptylmalonate 

Downstream Products

• 74800-46-7 4-(5-Heptyl-[1,3]dioxan-2-yl)-phenol 
• 81221-25-2 4-(5-Heptyl-[1,3]dioxan-2-yl)-phenol 
• 74800-73-0 2-(4-Butoxy-phenyl)-5-heptyl-[1,3]dioxane 
• 81221-19-4 2-(4-Butoxy-phenyl)-5-heptyl-[1,3]dioxane 
• 81221-29-6 Pentanoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 92974-38-4 2-(p-ethoxyphenyl)-5-heptyl-1,3-dithiane 
• 81221-39-8 4-Nitro-benzoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 74800-86-5 4-Trifluoromethyl-benzoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 74800-84-3 4-Methoxy-benzoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 74800-87-6 4-Cyano-benzoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 74800-83-2 4-Hexyl-benzoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 74800-85-4 4-Pentyloxy-benzoic acid 4-(5-heptyl-[1,3]dioxan-2-yl)-phenyl ester 
• 95400-64-9 trans 2-(p-cyanophenyl)-5-(n-heptyl)-1,3-oxathiane 

Relevant articles and documents

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.

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.

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)