| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 50980-84-2 |
| ECHA EC Number: | 256-888-7 |
| FDA UNII: | KQ2A0DW803 |
| Category: | solvents/deluents for flavor and/or fragrance agents |
| IUPAC Name: | propylene glycol dibutyrate |
| InChI : | InChI=1/C11H20O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h9H,4-8H2,1-3H3 |
| Std.InChI: | InChI=1S/C11H20O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey : | RWNOITVZTGQIRG-UHFFFAOYAG |
| Std.InChIKey: | RWNOITVZTGQIRG-UHFFFAOYSA-N |
| SMILES : | CCCC(=O)OCC(C)OC(=O)CCC |
| Molar Refractivity : | 56.51 ± 0.3 cm3 (est) |
| Parachor : | 516.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.433 ± 0.02 (est) |
| Surface Tension : | 31.8 ± 3.0 dyne/cm (est) |
| Density : | 0.994 ± 0.06 g/cm3 (est) |
| Polarizability : | 22.40 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1980 propyleneglycol dibutyrate |
| FEMA Number: | 4466 propyleneglycol dibutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 50980-84-2 ; PROPYLENEGLYCOL DIBUTYRATE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97700 to 0.98200 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.139 to 8.181 |
| Refractive Index: | 1.42000 to 1.42600 @ 20.00 °C. |
| Boiling Point: | 266.00 to 268.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.008000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 251.00 °F. TCC ( 121.67 °C. ) |
| logP (o/w): | 2.612 (est) |
| Soluble in: | |
| alcohol | |
| water, 150.2 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Propane-1,2-diyl dibutyrate |
| Inoue Perfumery |
| PROPYLENE GLYCOL DIBUTYRATE |
| Synerzine |
| propylene glycol di-n-butyrate |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| solvents/deluents for flavor and/or fragrance agents | |||
| Recommendation for propylene glycol dibutyrate usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 12.00000 | |
| beverages(nonalcoholic): | 1.00000 | 2.00000 | |
| beverages(alcoholic): | 1.00000 | 2.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 10.00000 | 70.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | 1.00000 | 2.00000 | |
| frozen dairy: | 1.00000 | 2.00000 | |
| fruit ices: | 1.00000 | 2.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 30.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 4.00000 | 30.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):50980-84-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :170948 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1-butanoyloxypropan-2-yl butanoate |
| Chemidplus:0050980842 |
| 1-butanoyloxypropan-2-yl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 170948 |
| Pubchem (sid): | 135126667 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.60.0000 |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
| FAO: | Propyleneglycol dibutyrate |
| None Found |
| solvents |
| not found in nature |
| butanoic acid 1,1'-(1-methyl-1,2-ethane diyl) ester | |
| butanoic acid 1,1'-(1-methyl-1,2-ethanediyl) ester | |
| butanoic acid, 1-methyl-1,2-ethanediyl ester | |
| butanoic acid,1,1'-(1-methyl-1,2-ethanediyl) ester | |
| 1- | butanoyloxypropan-2-yl butanoate |
| dibutyryl 1,2-propylene glycol | |
| dibutyryl 1,2-propyleneglycol | |
| 1- | methyl-1,2-ethanediyl dibutanoate |
| 1,2- | propane diol dibutanoate |
| propane-1,2-diyl dibutanoate | |
| propane-1,2-diyl dibutyrate | |
| 1,2- | propanediol dibutanoate |
| propylene glycol di-n-butyrate | |
| propylene1,2-glycol dibutyrate | |
| propyleneglycol dibutyrate |
| None found yet. Try the PubMed Search. |
