3,4-Diethoxybenzyl alcohol

HCID 854053

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Basic information

CAS: 83459-29-4
Standard SMILES: CCOc1ccc(CO)cc1OCC
InChIKey: ZOLYZUOLHFXYQD-UHFFFAOYSA-N
Molecular formula: C11H16O3
Average molar mass: 196.24 g/mol
Monoisotopic mass: 196.10994437

Names & identifiers

Preferred name: 3,4-Diethoxybenzyl alcohol
IUPAC: (3,4-diethoxyphenyl)methanol
English name: 3,4-Diethoxybenzyl alcohol
Molecular formula: C11H16O3
Molecular weight: 196.24

Names & synonyms

3,4-Diethoxybenzyl alcohol83459-29-4DTXSID30357539RefChem:270888DTXCID80308596(3,4-diethoxyphenyl)methanolMFCD013210833,4-Diethoxybenzylalcohol3,4-Diethoxyphenyl methanolSCHEMBL697888SCHEMBL7672551ZOLYZUOLHFXYQD-UHFFFAOYSA-N

Show more names

RARECHEM AL BD 0251Drotaveraldine Impurity 30Benzenemethanol, 3,4-diethoxy-3,4-Diethoxybenzyl alcohol 97%

HMS1783J063,4-Diethoxybenzyl alcohol, 97%AKOS000248967FD151370SY144022CS-0224823EN300-12112G61826

Database identifiers

CAS: 83459-29-4
PubChem CID: 854053
DTXSID: DTXSID30357539
Nikkaji: J3.509.654J

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 39 · 39-43 °C(lit.)
Flash point: 230 °F · 230 °F
storage temp.: 2 · Storage temp. 2-8°C
Appearance: White to light yellow Solid
InChI: 1S/C11H16O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7,12H,3-4,8H2,1-2H3
InChIKey: ZOLYZUOLHFXYQD-UHFFFAOYSA-N
SMILES: CCOc1ccc(CO)cc1OCC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501