Grundinformationen
- Standard-SMILES
OCCOCc1ccccc1- InChIKey
CUZKCNWZBXLAJX-UHFFFAOYSA-N- Summenformel
- C9H12O2
- Durchschnittliche Molmasse
- 152,19 g/mol
- Monoisotopische Masse
- 152,08372962
Namen und Bezeichner
- Bevorzugter Name
- 2-(Benzyloxy) ethanol
- IUPAC
- 2-phenylmethoxyethanol
- Lokaler Name
- 2-(Phenylmethoxy)ethanol
- Englischer Name
- 2-Benzyloxyethanol
- Summenformel
- C9H12O2
- Molmasse
- 152.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
622-08-2- PubChem CID
- 12141
- DTXSID
DTXSID3060744- UNII
- 06S8147L47
- EC Number
- 210-719-3
- Nikkaji
- J6.835G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 87
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1252.6;1275
2129
Physikochemische Eigenschaften
- Schmelzpunkt
- -75 °C · <-75 °C
- Siedepunkt
- 265 °C · 265 °C (lit.)
- Dichte
- 1.071 g/mL · 1.071 g/mL at 25 °C (lit.)
- Dampfdruck
- 7.3 hPa · 7.3hPa at 25℃
- Brechungsindex
- 20 · n20/D 1.521(lit.)
- Flammpunkt
- 110 °C · 110 °C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.4 · 14.40±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Wichte
- 1.07 · 1.07
- Geruch (Odor)
- mild rose
- Wasserlöslichkeit
- 4.282 g/L · 4.282g/L(23 ºC)
- BRN
- 2043566 · 2043566
- Henry's Law Constant
- 8.2 · 8.2×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Kosmetik-Inhaltsstoffe Funktionen
- SOLVENT
- InChIKey
- CUZKCNWZBXLAJX-UHFFFAOYSA-N
- LogP
- 1.01 at · 1.01 at 25℃
- CAS Datenbank
- 622 · 622-08-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Ethanol, 2-(phenylmethoxy)-(622-08-2)
- EPA chemische Informationen
- 2 · Ethanol, 2-(phenylmethoxy)- (622-08-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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: Ethanol, 2-(phenylmethoxy)-
Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596
Ethanol, 2-(phenylmethoxy)-: 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.
NFPA Hazard Classification
2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.
1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.
0 - Materials that in themselves are normally stable, even under fire conditions.
Hazard Classes and Categories
Acute Tox. 4 (100%);Skin Irrit. 2 (97.6%);Eye Irrit. 2 (97.6%);STOT SE 3 (97.6%)
Acute toxicity (Oral) - Category 4;Serious eye damage/eye irritation - Category 1
Sicherheit und Schutzausrüstung
Fire Fighting Procedures
CARBON DIOXIDE, DRY CHEMICAL
WATER SOLUBLE: NO; "ALCOHOL" FOAM. WATER OR FOAM MAY CAUSE FROTHING.
Toxikologische Informationen
Human Toxicity Excerpts
SEE GLYCOLS. MOST OF GLYCOLS HAVE LOW VOLATILITY AND CONSEQUENTLY PRESENT LITTLE DANGER FROM INHALATION OF VAPORS...THERE IS SOME EVIDENCE THAT GLYCOL ETHERS ARE MORE TOXIC THAN OTHER MEMBERS OF GROUP. /GLYCOLS/
MODERATELY TOXIC BY INGESTION.
Regulatorische Informationen
Regulatory Information
Chemical: Ethanol, 2-(phenylmethoxy)-
Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596
Ethanol, 2-(phenylmethoxy)-: 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
- 3
- tsca
- TSCA listed
- hs_code
- 29052900
- RTECS-Nr.
- KJ7550000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36-37/39
- Giftige Stoffe Daten
- 622-08-2(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a laboratory reagent, solvent (cellulose acetate, lacquers, dyes, inks, and resins), perfume fixative, and intermediate; Also used in coatings for leather, paper, and cloth; [HSDB]
Pulp and Paper Processing [Category: Industry];Painting (Solvents) [Category: Paint];Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
LABORATORY REAGENT
SOLVENT FOR CELLULOSE ACETATE, DYES, INKS, RESINS; PERFUME FIXATIVE
ORGANIC SYNTHESIS (SELECTIVE HYDROXYETHYLATING AGENT); COATING COMPOSITIONS FOR LEATHER, PAPER, & CLOTH; LACQUERS
Anwendungen
Verwenden2-Benzyloxyethanol is used in a base-free iridium-catalyzed direct alkylation of active methylene compounds with alcohols.
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