2-Methoxybenzyl alcohol

HCID 69154CAS 1331-81-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1CO
InChIKey
WYLYBQSHRJMURN-UHFFFAOYSA-N
Molecular formula
C8H10O2
Average molar mass
138.16 g/mol
Monoisotopic mass
138.06807956

Names & identifiers

Preferred name
2-Methoxybenzyl alcohol
IUPAC
(2-methoxyphenyl)methanol
English name
2-Methoxybenzyl alcohol
Molecular formula
C8H10O2
Molecular weight
138.16

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

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]

Physicochemical properties

Melting point
85 · 85-86 °C
Boiling point
248 · 248-250 °C(lit.)
Density
1.039 g/mL · 1.039 g/mL at 25 °C(lit.)
vapor pressure
0.572 Pa · 0.572Pa at 25℃
refractive index
20 · n20/D 1.547(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

Regulatory Information · 3 items

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 items

Acute Tox. 4 (98.3%)

Acute Tox. 4 (100%)

Safety data

F
9-23
PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29094990
risk_code
36/37/38-22

Chemistry & industry

Uses & manufacturing

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

Applications

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

Preparation methods · 1 item

PreparationSynthesis 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%.

Upstream & downstream products

Suppliers50 total

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]

Related reactions

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Linked notes

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