3-Methoxybenzyl alcohol (HCID 81437)

Names & identifiers

Preferred name: 3-Methoxybenzyl alcohol
IUPAC: (3-methoxyphenyl)methanol
English name: m-Anisyl alcohol
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

3-Methoxybenzyl alcohol(3-Methoxyphenyl)methanol6971-51-3m-Methoxybenzyl alcoholBenzenemethanol, 3-methoxy-3-Anise alcohol3-Anisyl alcoholUNII-I1XC3698N5M-ANISALCOHOLI1XC3698N5EINECS 230-200-5NSC-66559

Show more names

3-AnisalcoholM-ANISE ALCOHOLM-ANISYL ALCOHOL3-ANISIC ALCOHOLRARECHEM AL BD 0060

DTXSID20220001BENZYL ALCOHOL, M-METHOXY-NSC 66559(3-(METHYLOXY)PHENYL)METHANOL1-(HYDROXYMETHYL)-3-METHOXYBENZENEmAnisyl alcoholRefChem:94633Benzyl alcohol, 3methoxy

Database identifiers

CAS: 6971-51-3
PubChem CID: 81437
DTXSID: DTXSID20220001
ChEMBL: CHEMBL4128915
ChEBI: CHEBI:1580
UNII: I1XC3698N5
EC Number: 230-200-5
Nikkaji: J8.869B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 93

Physicochemical properties

Melting point: 30 °C · 30°C
Boiling point: 250 °C723 · 250 °C723 mm Hg(lit.)
Density: 1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.540(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Acetonitrile (Sparingly), Chloroform (Sparingly), DMSO (Slightly)
form: Liquid
pka: 14.43 · 14.43±0.10(Predicted)
Specific Gravity: 1.112 · 1.112
color: Clear slightly yellow to slightly brown
Water Solubility: immiscible
BRN: 2042063 · 2042063
InChI: 1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChIKey: IIGNZLVHOZEOPV-UHFFFAOYSA-N
SMILES: COc1cccc(CO)c1
LogP: 1.04 · 1.040 (est)
CAS DataBase Reference: 6971 · 6971-51-3(CAS DataBase Reference)
FDA UNII: 1 XC3698N5 · I1XC3698N5
NIST Chemistry Reference: 3 · 3-Methoxybenzyl alcohol(6971-51-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-22
Safety Statements: 23 · 23-24/25-37/39-26-36
WGK Germany: 3 · 3
HS Code: 29094990 · 29094990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29094990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 23-24/25-37/39-26-36
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501

Chemistry & industry

Applications

Uses3-Methoxybenzyl alcohol is used as an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Upstream & downstream products

Upstream raw materials

Downstream products

3-Methoxybenzyl bromide 3-Methylanisole 3-Methoxybenzylamine 3-Methoxybenzyl chloride 2-Propenoic acid (3-methoxyphenyl)methyl ester Methyl 3-methoxybenzoate 2-Chloro-5-methoxybenzoic acid 2-Hydroxy-3-methoxybenzyl alcohol

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]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

怀化宝华生物科技有限公司0519-82698292 · [email protected]

Additional notes

DefinitionChEBI: 3-Methoxybenzyl alcohol is a member of methoxybenzenes.

Related reactions

53 records

New reaction record

HRID 18806As reactantuspto-grants-2010_06

HRID 36341As reactantuspto-grants-1995_05

HRID 50978As reactantuspto-grants-2004_03

HRID 96560As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101129As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112517As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 139039As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 188700As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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Basic information