3-Hydroxy-4-methoxybenzyl alcohol (HCID 78089)

Names & identifiers

Preferred name: 3-Hydroxy-4-methoxybenzyl alcohol
IUPAC: 5-(hydroxymethyl)-2-methoxyphenol
English name: 3-Hydroxy-4-methoxybenzyl alcohol
Molecular formula: C8H10O3
Molecular weight: 154.16

Names & synonyms

3-Hydroxy-4-methoxybenzyl alcohol5-(Hydroxymethyl)-2-methoxyphenolBenzenemethanol, 3-hydroxy-4-methoxy-DTXSID40195949EINECS 224-489-7NSC 93802RefChem:502432DTXCID30118440224-489-74383-06-6Isovanillyl alcohol3-Hydroxy-4-methoxybenzylalcohol

Show more names

RARECHEM AL BD 00683-Hydroxy-4-methoxybIsovanillylAlcohol>2-methoxy-5-methylol-phenol2-methyl-1-phenylprop-2-en-1-ol2-Methoxy-5-(hydroxymethyl)phenol

MFCD000046445-hydroxymethyl-2-methoxyphenol4-Methoxy-3-hydroxy benzyl alcoholNSC-938023-Hydroxy-4-methoxybenzenemethanolNSC93802FSA5FY5PE7SCHEMBL347472

Database identifiers

CAS: 4383-06-6
PubChem CID: 78089
DTXSID: DTXSID40195949
ChEMBL: CHEMBL1738713
UNII: FSA5FY5PE7
EC Number: 224-489-7
Nikkaji: J80.813J

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

Kovats Retention Index1477.9

Physicochemical properties

Melting point: 135 · 135-137 °C (lit.)
Boiling point: 315.8 · 315.8±27.0 °C(Predicted)
Density: 1.226 · 1.226±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 9.75 · 9.75±0.10(Predicted)
color: White to Almost white
BRN: 1867860 · 1867860
InChI: 1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
InChIKey: WHKRHBLAJFYZKF-UHFFFAOYSA-N
SMILES: COc1ccc(CO)cc1O
CAS DataBase Reference: 4383 · 4383-06-6(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3-Hydroxy-4-methoxybenzyl alcohol(4383-06-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
HS Code: 29094990 · 29094990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 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.

Hazard information

Regulatory InformationBenzenemethanol, 3-hydroxy-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (85.7%)

Regulatory information

Regulatory InformationBenzenemethanol, 3-hydroxy-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29094990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25-36-26
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3-Hydroxy-4-methoxybenzyl alcohol was used in preparation of 2-hydroxymethyl-5-methoxy-2,5-cyclohexadiene-1,4-dione by oxidation with Fremy′s salt.