2-Methoxybenzylalkohol

2-Methoxybenzyl alcohol

HCID 69154CAS 1331-81-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
COc1ccccc1CO
InChIKey
WYLYBQSHRJMURN-UHFFFAOYSA-N
Summenformel
C8H10O2
Durchschnittliche Molmasse
138,16 g/mol
Monoisotopische Masse
138,06807956

Namen und Bezeichner

Bevorzugter Name
2-Methoxybenzyl alcohol
IUPAC
(2-methoxyphenyl)methanol
Lokaler Name
2-Methoxybenzylalkohol
Englischer Name
2-Methoxybenzyl alcohol
Summenformel
C8H10O2
Molmasse
138.16

Namen und Synonyme

2-Methoxybenzyl alcohol(2-Methoxyphenyl)methanol612-16-8o-Anisyl alcoholBenzenemethanol, 2-methoxy-o-Methoxybenzyl alcohol2-MethoxybenzenemethanolMFCD000046112-methoxy-benzylalcohol2-Methoxy benzyl alcoholEINECS 215-561-9NSC-66558
Weitere Namen anzeigen
o-Anisalcohol2-ANISE ALCOHOLO-ANISE ALCOHOL2-ANISIC ALCOHOL2-ANISYL ALCOHOLAKOS BBS-00004611RARECHEM AL BD 0022
UNII-NT090XT6TE(2-methoxyphenyl)-methanol457NQ8NGCG(2-Methoxy-phenyl)-methanolAI3-05521BENZYL ALCOHOL, O-METHOXY-NSC66558AKOS000120315

Datenbank-Bezeichner

CAS
1331-81-3、612-16-8
PubChem CID
69154
DTXSID
DTXSID4060606
UNII
457NQ8NGCG
EC Number
210-296-5、215-561-9
Nikkaji
J11.545B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
FragrancesFragrance Ingredient (Anisyl alcohol (o-,m-,p-)) -> IFRA transparency List
LogP1.13
Vapor Pressure0.00429 [mmHg]
Physical DescriptionClear orange to light orange-brown liquid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
85 · 85-86 °C
Siedepunkt
248 · 248-250 °C(lit.)
Dichte
1.039 g/mL · 1.039 g/mL at 25 °C(lit.)
Dampfdruck
0.572 Pa · 0.572Pa at 25℃
Brechungsindex
20 · n20/D 1.547(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 127 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenemethanol, 2-methoxy-

Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21644

Benzenemethanol, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS] See 2,5-Dimethoxybenzyl alcohol. See Benzyl alcohol. See 1,3-Dimethoxybenzene and Anisole.
Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (98.3%)

Acute Tox. 4 (100%)

Sicherheitsdaten

F
9-23
wgk
3
tsca
TSCA listed
hs_code
29094990
risk_code
36/37/38-22
hazard_code
Xn,Xi

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenemethanol, 2-methoxy-: ACTIVE

Anwendungen

VerwendenIt is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.

Darstellung · 1 Eintrag

synthetischeSynthesis of 2-Methoxybenzyl Alcohol: Under an inert nitrogen (N₂) atmosphere, after dehydration and deoxygenation, 2-methoxybenzoic acid (76.2 mg, 0.5 mmol) was added to the reaction flask, followed by the addition of liquid borane (290 μL, 2 mmol). The reaction was carried out at room temperature for 12 hours. After completion, the mixture was removed from the glovebox, and trimethoxybenzene (84.23 mg, 0.5 mmol) was added as an internal standard. The mixture was dissolved in CDCl₃, stirred for 10 minutes, and then sampled for nuclear magnetic resonance (NMR) analysis. The yield was calculated to be 99%.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Zugehörige Reaktionen

48
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…