Prenyl acetate
Synonym(s):3,3-dimethyl allyl acetate;3-methyl-2-buten-1-ol acetate;3-methyl-2-buten-1-yl acetate;3-methyl-2-butenyl acetate;Isopent-2-enyl acetate
- CAS NO.：1191-16-8
- Empirical Formula: C7H12O2
- Molecular Weight: 128.17
- MDL number: MFCD00036569
- EINECS: 214-730-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-31 17:33:32
What is Prenyl acetate?
Chemical properties
Colorless to pale yellow liquid
Chemical properties
Colorless liquid; natural green apple, banana aroma.
Occurrence
Reported found in ylang ylang oil (0.33%), ylang ylang oil I, Cananga odorata Hook.f. and Thomas. (0.89%), ylang ylang oil II, Cananga odorata Hook. f. and Thomas. (0.08%), ylang ylang oil III (0.02%)
The Uses of Prenyl acetate
Prenyl Acetate is a volatile constituent found in blue-colored hybrid tea rose flowers.
Definition
ChEBI: Isopentenyl acetate is a carboxylic ester.
Aroma threshold values
Medium strength odor, fruity type; recommend smelling in a 1% solution or less.
Taste threshold values
Sweet banana, fruity, ripe, floral, green at 30 ppm in water.
Synthesis Reference(s)
Synthetic Communications, 25, p. 2253, 1995 DOI: 10.1080/00397919508011780
Tetrahedron Letters, 25, p. 541, 1984 DOI: 10.1016/S0040-4039(00)99932-5
Flammability and Explosibility
Flammable
Safety Profile
Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Properties of Prenyl acetate
| Melting point: | -62.68°C (estimate) |
| Boiling point: | 151-152 °C752 mm Hg(lit.) |
| Density | 0.917 g/mL at 25 °C(lit.) |
| vapor pressure | 2.6hPa at 20℃ |
| FEMA | 4202 | PRENYL ACETATE |
| refractive index | n |
| Flash point: | 121 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | H2O: insoluble |
| form | neat |
| color | Colorless to Almost colorless |
| Specific Gravity | 0.917 |
| Odor | at 1.00 % in propylene glycol. sweet fresh banana fruity jasmin ripe heliotrope balsam |
| Water Solubility | 4.3g/L at 20℃ |
| JECFA Number | 1827 |
| CAS DataBase Reference | 1191-16-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Buten-1-ol, 3-methyl-, acetate(1191-16-8) |
| EPA Substance Registry System | 2-Buten-1-ol, 3-methyl-, acetate (1191-16-8) |
Safety information for Prenyl acetate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids H303:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for Prenyl acetate
| InChIKey | XXIKYCPRDXIMQM-UHFFFAOYSA-N |
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