Prenyl acetate (HCID 14489)

Namen und Bezeichner

Bevorzugter Name: Prenyl acetate
IUPAC: 3-methylbut-2-enyl acetate
Lokaler Name: 3-Methyl-2-butenylacetat
Englischer Name: Prenyl acetate
Summenformel: C7H12O2
Molmasse: 128.17

Namen und Synonyme

Prenyl acetate1191-16-83,3-Dimethylallyl acetate3-Methyl-2-butenyl acetateIsopent-2-enyl acetate3-methylbut-2-enyl acetateDimethylallyl acetate2-BUTEN-1-OL, 3-METHYL-, ACETATE3-Methyl-2-buten-1-ol, acetate2-Buten-1-ol, 3-methyl-, 1-acetateDTXSID9047128I7KOV03HGS

Weitere Namen anzeigen

3-METHYL-2-BUTEN-1-YL ACETATEPRENYLACETATSorbate esterISOPENTY CETATEVERTENOL-ACETATE3-methyl-2-butenyldimethylallylacetatePRENYL ACETATE 98+%

EINECS 214-730-41-acetoxy-3-methyl-2-buteneBRN 1746265.gamma.,.gamma.-Dimethylallyl acetatePRENYL ACETATE [FHFI]DTXCID7027128FEMA NO. 4202EC 214-730-4

Datenbank-Bezeichner

CAS: 1191-16-8
PubChem CID: 14489
DTXSID: DTXSID9047128
ChEMBL: CHEMBL3560443
ChEBI: CHEBI:173486
UNII: I7KOV03HGS
EC Number: 214-730-4
Nikkaji: J70.099A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 121

Experimentelle und physikochemische Eigenschaften

LogP1.650

Density0.911-0.922

Solubility · 2 Einträge

Practically insoluble to insoluble in water

Soluble (in ethanol)

Boiling Point · 2 Einträge

151.00 to 152.00 °C. @ 752.00 mm Hg

148-149 °C

Refractive Index1.424-1.428

Physical Description · 3 Einträge

Dry Powder; Liquid; Liquid; CBI

Liquid

Colourless liquid; Natural green apple banana aroma

Physikochemische Eigenschaften

Schmelzpunkt: -62.68 °C · -62.68°C (estimate)
Siedepunkt: 151 · 151-152 °C752 mm Hg(lit.)
Dichte: 0.917 g/mL · 0.917 g/mL at 25 °C(lit.)
Dampfdruck: 2.6 hPa · 2.6hPa at 20℃
FEMA: 4202 · 4202 | PRENYL ACETATE
Brechungsindex: 20 · n20/D 1.43(lit.)
Flammpunkt: 121 °F · 121 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 2 O: · H2O: insoluble
Farbe: Colorless to Almost colorless
Wichte: 0.917 · 0.917
Geruch (Odor): 1 % · at 1.00 % in propylene glycol. sweet fresh banana fruity jasmin ripe heliotrope balsam
Geruchsart: fruity
Biologische Quelle: synthetic
Wasserlöslichkeit: 4.3 g/L · 4.3g/L at 20℃
JECFA Number: 1827 · 1827
Major Application: flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: 1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChIKey: XXIKYCPRDXIMQM-UHFFFAOYSA-N
SMILES: CC(=O)OC\C=C(\C)C
LogP: 2 at · 2 at 23℃
CAS Datenbank: 1191 · 1191-16-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Buten-1-ol, 3-methyl-, acetate(1191-16-8)
EPA chemische Informationen: 2 · 2-Buten-1-ol, 3-methyl-, acetate (1191-16-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1901 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 2-Buten-1-ol, 3-methyl-, acetate

Regulation (EC) No 1831/2003 (amended)

2-Buten-1-ol, 3-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-ol, 3-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12791

2-Buten-1-ol, 3-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

Regulatorische Informationen

Regulatory Information · 5 Einträge

Chemical: 2-Buten-1-ol, 3-methyl-, acetate

Regulation (EC) No 1831/2003 (amended)

2-Buten-1-ol, 3-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-ol, 3-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12791

2-Buten-1-ol, 3-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
hs_code: 29153900
RTECS-Nr.: EM9473700
risk_code: 10
safety_code: 16-24/25
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular；Membrane

Verwendung und Herstellung

U.S. Production2023: 8,500,000 - <10,000,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 39 consumer products that contain Prenyl Acetate in the following categories is provided:；• Auto Products；• Inside the Home；• Personal Care

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 Einträge

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing

2-Buten-1-ol, 3-methyl-, 1-acetate: ACTIVE

Anwendungen

OccurrenceReported 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%)