HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cinnamyl Alcohol
(E)-3-phenylprop-2-en-1-ol · (E)-Cinnamyl Alcohol · Cinnamyl Alcohol >2-Propen-1-ol, 3-phenyl-, (2E)- · C11667500 trans-Cinnamyl-alcohol · (E)-3-Phenylprop-2-en-1-ol (Cinnamyl alcohol)
Identifikatoren & physikalische Daten
| CAS No. | 104-54-1 |
|---|---|
| Summenformel | C9H10O |
| Durchschnittliche Molmasse | 134,17 g/mol |
| Monoisotopische Masse | 134,07316494 g/mol |
| SMILES | OC/C=C/c1ccccc1 |
| InChIKey | OOCCDEMITAIZTP-QPJJXVBHSA-N |
| PubChem CID | 5315892 |
| ChEMBL | CHEMBL324794 |
| ChEBI | CHEBI:17177 |
| EC No. | 203-212-3 |
| DTXSID | DTXSID301314144 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 101 |
| Stoffklassen | Other Classes -> Other Aromatic Compounds |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Kosmetika | Cosmetics ingredient -> BaseFlavorFragranceOther (Specify)Cosmetic ingredients (Cinnamyl Alcohol) -> CIR (Cosmetic Ingredient Review)Masking |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance substance (Cinnamic alcohol) -> IFRA amendment 49Fragrance Ingredient (Cinnamyl alcohol) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 1.7001.95 |
| Geruch | ODOR OF HYACINTHPLEASANT, FLORAL ODOR |
| Geschmack | BITTER TASTE |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.0397 @ 35 °C/35 °C1.0440 |
| Aromastoffe | EU Flavoring substances |
| Color/Form | NEEDLES OR CRYSTAL MASSWHITE TO YELLOWISH SOLIDWHITE NEEDLES FROM PETROLEUM ETHER |
| Schmelzpunkt | 34°C |
| Siedepunkt | 250°C(lit.) |
| Brechungsindex | 1.5819 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Practically insoluble in waterSoluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 14.61±0.10(Predicted) |
| Farbe | White or Colorless to Light yellow |
| Geruch | at 100.00 %. sweet balsam hyacinth spicy green powdery cinnamyl |
| Geruchsart | balsamic |
| Merck | 14,2302 |
| InChI | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+ |
| InChIKey | OOCCDEMITAIZTP-QPJJXVBHSA-N |
| SMILES | C(O)/C=C/C1=CC=CC=C1 |
| LogP (Verteilungskoeffizient) | 1.700 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2033) of reports.WarningH302 (15.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2033 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propen-1-ol, 3-phenyl-Hazard Traits - Fragrance AllergenRegulation (EC) No 1831/2003 (amended)2-Propen-1-ol, 3-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propen-1-ol, 3-phenyl- 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: 25-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12023Cinnamyl alcohol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Propen-1-ol, 3-phenyl-: Human health tier II assessment |
| Gefahrenübersicht | Cinnamic alcohol was an allergen in 15 of 20 perfume-sensitive patients patch tested. [HSDB] An irritant[MSDSonline] Positive patch tests reported in perfume industry and food handlersOne of the chemicals in the fragrance mix[Kanerva, p. 1771] Included in list of established contact allergens in humans[EC: Scientific Committee on Consumer Safety: Fragrance allergens in cosmetic products (2011)] Danger of skin sensitization[MAK] |
| FDA-Anforderungen | 121.1164 |
| Hazard Classes and Categories | Acute Tox. 4 (15.5%)Acute Tox. 4 (100%)Skin sensitisation - category 1 |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
Anwendungen & Verwendung
Verwenden
3-Phenylprop-2-en-1-ol is a reactant in the preparation of isobenzofuranones.