Grundinformationen
- CAS
1504-55-8- Standard-SMILES
CC(=Cc1ccccc1)CO- InChIKey
LLNAMUJRIZIXHF-UHFFFAOYSA-N- Summenformel
- C10H12O
- Durchschnittliche Molmasse
- 148,2 g/mol
- Monoisotopische Masse
- 148,088815
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-3-phenyl-2-propen-1-ol
- IUPAC
- 2-methyl-3-phenylprop-2-en-1-ol
- Lokaler Name
- β-Methylcinnamylalkohol
- Englischer Name
- 2-Methyl-3-phenyl-2-propen-1-ol
- Summenformel
- C10H12O
- Molmasse
- 148.2
Namen und Synonyme
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Datenbank-Bezeichner
- CAS
1504-55-8- PubChem CID
- 560879
- DTXSID
DTXSID1061738- EC Number
- 216-128-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 132
Physikochemische Eigenschaften
- Schmelzpunkt
- 24 · 24-25 °C(Solv: ligroine (8032-32-4))
- Siedepunkt
- 77 °C0.1 · 77 °C0.1 mm Hg(lit.)
- Dichte
- 1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.572(lit.)
- Flammpunkt
- 230 °F · >230 °F
- Löslichkeit
- Almost insoluble in water, soluble in alcohol and oils.
- pka
- 14 · 14+-.0.10(Predicted)
- Aggregatzustand
- powder to lump to clear liquid
- Farbe
- White or Colorless to Light yellow
- Geruch (Odor)
- 100 % · at 100.00 %. sweet balsam floral oriental styrax
- Geruchsart
- balsamic
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- 1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+
- InChIKey
- LLNAMUJRIZIXHF-VQHVLOKHSA-N
- SMILES
- [H]\C(=C(\C)CO)c1ccccc1
- LogP
- 1.929 · 1.929 (est)
- EPA chemische Informationen
- 2 · 2-Propen-1-ol, 2-methyl-3-phenyl- (1504-55-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 13.8% (22 of 159) of reports.
Warning
H315 (85.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (32.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (24.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 22 of 159 reports by companies.;There are 6 notifications provided by 137 of 159 reports by companies with hazard statement code(s).;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
Chemical: 2-Propen-1-ol, 2-methyl-3-phenyl-
2-Propen-1-ol, 2-methyl-3-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatorische Informationen
Regulatory Information
Chemical: 2-Propen-1-ol, 2-methyl-3-phenyl-
2-Propen-1-ol, 2-methyl-3-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2906290090
- RTECS-Nr.
- GE2340000
- risk_code
- 36/37/38
- Toxizität
- The acute oral LD50 in rats was reported as 2.4 ml/kg (1.9-3.0 ml/kg) (Levenstein, 1974). The acute dermal LD50 in rabbits exceeded 5 g/kg (Levenstein, 1974).
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
OccurrenceHas apparently not been reported to occur in nature
Verwendentrans-2-Methyl-3-phenyl-2-propen-1-ol was used in the preparation of 5-methyl-4-phenyl-5-hexen-2-one.
Darstellung
synthetischeBy selective hydrogenation of methylcinnamic aldehyde
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