(1-Methylcyclopropyl)methanol
Grundinformationen
- CAS
2746-14-7- Standard-SMILES
CC1(CO)CC1- InChIKey
PIZQWRXTMGASCZ-UHFFFAOYSA-N- Summenformel
- C5H10O
- Durchschnittliche Molmasse
- 86,13 g/mol
- Monoisotopische Masse
- 86,07316494
Namen und Bezeichner
- Bevorzugter Name
- (1-Methylcyclopropyl)methanol
- IUPAC
- (1-methylcyclopropyl)methanol
- Englischer Name
- 1-Methylcyclopropanemethanol
- Summenformel
- C5H10O
- Molmasse
- 86.13
Namen und Synonyme
(1-Methylcyclopropyl)methanol1-Methylcyclopropanemethanol2746-14-7PIZQWRXTMGASCZ-UHFFFAOYSA-DTXSID90181877RefChem:392408DTXCID30104368626-559-6InChI=1/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3MFCD00009682Cyclopropanemethanol, 1-methyl-(1-methyl-cyclopropyl)-methanol
Weitere Namen anzeigen
Cyclopropanemethanol,1-methyl-1-MethylcyclopropaneMethanol 98%1-Methylcyclopropanemethanol ISO 9001:2015 REACH(1-Methylcyclopropyl)Methanol 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
1-methylcyclopropanmethanol1-methylcyclopropylcarbinol1-methylcyclopropyl-methanol1-methyl-cyclopropanemethanol1-methylcyclopropane-methanolSCHEMBL342676SCHEMBL831967(methylcyclopropyl)methan-1-ol
Datenbank-Bezeichner
- CAS
2746-14-7- PubChem CID
- 137701
- DTXSID
DTXSID90181877- EC Number
- 626-559-6
- Nikkaji
- J236.396H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 55
Physikochemische Eigenschaften
- Schmelzpunkt
- -15.1 °C · -15.1°C
- Siedepunkt
- 128 °C/750 · 128 °C/750 mmHg (lit.)
- Dichte
- 0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.431(lit.)
- Flammpunkt
- 93 °F · 93 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 15.1 · 15.10±0.10(Predicted)
- InChI
- InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3
- InChIKey
- PIZQWRXTMGASCZ-UHFFFAOYSA-N
- SMILES
- C1(C)(CO)CC1
- LogP
- 0.72 · 0.720 (est)
- NIST chemische Informationen
- 1 · 1-Methylcyclopropanemethanol(2746-14-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10
- safety_code
- 16-29-33
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Anwendungen
Verwenden1-Methylcyclopropanemethanol has been used in the preparation of (±)-2-(benzyloxycarbonylamino)-2-(1′-methylcyclopropyl)ethanamide.
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