89266-70-6

Basic information

• Product Name: 1,2-diacetoxy-4-propylbenzene
• Synonyms: 1,2-diacetoxy-4-propylbenzene
• CAS NO: 89266-70-6
• Molecular Formula: C13H16 O4
• Molecular Weight: 0
• Mol File: 89266-70-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 310.7°C at 760 mmHg
• Flash Point: 147.9°C
• Appearance: /
• Density: 1.103g/cm³
• Vapor Pressure: 0.00059mmHg at 25°C
• Refractive Index: 1.501
• CAS DataBase Reference: 1,2-diacetoxy-4-propylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-diacetoxy-4-propylbenzene(89266-70-6)
• EPA Substance Registry System: 1,2-diacetoxy-4-propylbenzene(89266-70-6)

Safety Data

• Hazardous Substances Data: 89266-70-6(Hazardous Substances Data)

Usage

Physical state

Colorless to pale yellow liquid

Usage

Fragrance ingredient in perfumes and personal care products

Scent

Sweet, floral, and slightly fruity odor

Additional uses

Pharmaceutical industry and flavoring agent in food products

Safety precautions

Causes skin, eye, and respiratory irritation

Hazardous properties

Flammable

InChI:InChI=1/C13H16O4/c1-4-5-11-6-7-12(16-9(2)14)13(8-11)17-10(3)15/h6-8H,4-5H2,1-3H3

Upstream product

• 94-58-6 dihydrosafrole 
• 108-24-7 acetic anhydride 
• 94-59-7 1-allyl-3,4-methylenedioxybenzene 
• 120-58-1 isosafrole 
• 2525-02-2 4-propylbenzene-1,2-diol 
• 13620-82-1 4-allyl-1,2-phenylene diacetate 

Relevant articles and documents

New catechol derivatives of safrole and their antiproliferative activity towards breast cancer cells

Catechols were synthesized from safrole. Nine derivatives were prepared and assessed for antiproliferative effects using different human cell lines. The in vitro growth inhibition assay was based on the sulphorhodamine dye to quantify cell viability. The derivatives 4-allylbenzene-1,2-diol (3), 4 4-[3-(acetyloxy)propyl]-1,2-phenylene diacetate (6) and 4-[3-(acetyloxy)propyl]- 5-nitro-1,2-phenylene diacetate (10) showed higher cytotoxicity than the parent compound 2 in tests performed on two breast cancer cell lines (MCF-7 and MDA-MB-231). The IC50 values of 40.2 ± 6.9 μM, 5.9 ± 0.8 μM and 33.8 ± 4.9 μM, respectively, were obtained without toxicity towards dermal human fibroblast (DHF cells).

CONVERSION OF METHYLENEDIOXYBENZENE DERIVATIVES INTO 2-METHOXYPHENOL DERIVATIVES

Methylenedioxybenzene derivatives are reductively cleft with diisobutylaluminum hydride to give 2-methoxyphenol derivatives.Concurrent hydroalumination occures when a substrate contains an olefinic bond in a side chain.