4-Terpineol, (-)-
Grundinformationen
- CAS
20126-76-5- Standard-SMILES
CC1=CC[C@@](O)(C(C)C)CC1- InChIKey
WRYLYDPHFGVWKC-JTQLQIEISA-N- Summenformel
- C10H18O
- Durchschnittliche Molmasse
- 154,25 g/mol
- Monoisotopische Masse
- 154,13576519
Überblick
P-Meth-1-en-4-OL is a p-menthane monoterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- 4-Terpineol, (-)-
- IUPAC
- (1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
- Englischer Name
- (-)-TERPINEN-4-OL
- Summenformel
- C10H18O
- Molmasse
- 154.25
Namen und Synonyme
(-)-Terpinen-4-ol20126-76-5(-)-4-Terpineol3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (1R)-4-Terpinenol, L-(R)-Terpinen-4-ol(R)-4-Carvomenthenol4-Terpineol, (-)-p-Menth-1-en-4-ol, (R)-(-)-4-Carvomenthenol, (-)-(R)-(-)-p-Menth-1-en-4-ol(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
Weitere Namen anzeigen
L-4-terpineneolL-4-terpineolL-terpinen-4-olP-MENTH-1-EN-4-OL(?)-Terpinen-4-olp-Mentha-1-ene-4α-ol(-)-Terpinen-4-ol>
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)-8VI196VS5T(R)-4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol(1R)-4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-olDTXSID101033857RefChem:526749DTXCID101518629629-645-1
Datenbank-Bezeichner
- CAS
20126-76-5- PubChem CID
- 5325830
- DTXSID
DTXSID101033857- ChEMBL
CHEMBL2287509- ChEBI
CHEBI:211664- UNII
- 8VI196VS5T
- EC Number
- 629-645-1、943-985-0
- Nikkaji
- J257.436E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 170
Physikochemische Eigenschaften
- Schmelzpunkt
- 208 · 208~210℃
- Siedepunkt
- 212 °C · 212 °C
- Dichte
- 0.934 g/mL · 0.934 g/mL at 20 °C
- Dampfdruck
- 64 · 64-349Pa at 20-50℃
- Brechungsindex
- 1.476 · 1.476-1.482
- Flammpunkt
- 90 °C · 90 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 14.94 · 14.94±0.40(Predicted)
- Farbe
- Clear colorless to yellow
- InChI
- 1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1
- InChIKey
- WRYLYDPHFGVWKC-JTQLQIEISA-N
- SMILES
- CC(C)[C@@]1(O)CCC(C)=CC1
- LogP
- 2.97 at · 2.97 at 22.7℃
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Regulatory InformationREACH registered substance: (1R)-1-isopropyl-4-methyl-cyclohex-3-en-1-ol (EC: 943-985-0)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29061900
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 37/39-26
- hazard_class
- 3
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(-)-Terpinen-4-ol has been used as a standard for the determination of the composition of Lavandula stoechas essential oil by fast gas chromatography-electronic impact ionization/mass spectrometry (FGC-EI/MS).
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