Compound: 3-Ethoxy-4-hydroxybenzaldehyde
SMILES: O=Cc1cc(OCC)c(O)cc1
InChIKey: CBOQJANXLMLOSS-UHFFFAOYSA-N
Synonyms: 3-Ethoxy-4-hydroxybenzaldehyde, ETHYL VANILLIN, Ethylvanillin, 121-32-4, Bourbonal, Ethylprotal, Vanillal, Ethavan, Ethovan, Vanirom, Vanilal, Quantrovanil, 4-Hydroxy-3-ethoxybenzaldehyde, Rhodiarome, Benzaldehyde, 3-ethoxy-4-hydroxy-, Ethyl protal, Protocatechuic aldehyde ethyl ether, Vanillin, ethyl-, Vanirome, 2-Ethoxy-4-formylphenol, Ethylprotocatechuic aldehyde, 3-Ethoxyprotocatechualdehyde, FEMA No. 2464, Arovanillon, Ethyl protocatechuic aldehyde, NSC 1803, DTXSID5021968, Vanillin,ethyl, NSC-1803, YC9ST449YJ, NSC-67240, J2.006K, DTXCID901968, CHEBI:48408, RefChem:139073, 204-464-7, MFCD00006944, Vanbeenol, ethyl-vanillin, Ethylprotocatechualdehyde-3-ethyl ether, 3-ETHOXY-4-HYDROXY-BENZALDEHYDE, 3-ethoxy-4-hydroxy benzaldehyde, Ethyl vanillin (NF), Ethyl vanillin [NF], Protocatechuic aldehyde 3-ethyl ether, NCGC00091583-02, WLN: VHR DQ CO2, Quantrovanil, Vanillal, CAS-121-32-4, CCRIS 1346, HSDB 945, EINECS 204-464-7, UNII-YC9ST449YJ, BRN 1073761, ehtylvanillin, Aethylvanillin, AI3-00786, Ethyl vanillin, USAN?, Ethylvanillin (Standard), Ethyl protocatechualdehyde, EC 204-464-7, ETHYL VANILLIN [II], ETHYL VANILLIN [MI], SCHEMBL30247, 3ethoxy-4-hydroxybenzaldehyde, ETHYL VANILLIN [FCC], MLS002454403, BIDD:ER0329, ETHYL VANILLIN [FHFI], ETHYL VANILLIN [HSDB], 3-ethoxyl-4-hydroxybenzaldhyde, 5-ethoxy-4-hydroxybenzaldehyde, VANILLIN,ETHYL [VANDF], CHEMBL508676, orb1310561, orb3025563, SCHEMBL6899032, ETHYL VANILLIN [MART.], Ethyl vanillin (Rhodiarome(R)), ETHYL VANILLIN [USP-RS], ETHYL VANILLIN [WHO-DD], SCHEMBL29351334, FEMA 2464, HY-B0940R, MSK3355, NSC1803, GLXC-10438, HMS2267D23, HMS5083L13, Ethyl vanillin, analytical standard, HY-B0940, NSC67240, Tox21_113535, Tox21_202125, Tox21_302903, BBL023011, EBC-47204, MSK3355-100M, s4568, SBB008268, STK353630, Ethyl vanillin, >=98%, FCC, FG, AKOS000119395, MSK3355-1000M, CCG-213720, CS-4409, FE34406, PS-4030, NCGC00091583-01, NCGC00091583-03, NCGC00091583-04, NCGC00256500-01, NCGC00259674-01, AC-10881, Ethyl proto-catechualdehyde-3-ethyl ether, NCI60_001511, SMR001252229, SY011364, DB-061895, E0050, NS00008588, ST45162590, T0491, EN300-18278, D01086, D70878, Ethyl vanillin Solution in Methanol, 100ug/mL, AB00949623_05, Ethyl vanillin Solution in Methanol, 1000ug/mL, F222092, Q416958, SR-01000865052, SR-01000865052-2, 3-Ethoxy-4-hydroxybenzaldehyde, ReagentPlus(R), 99%, BRD-K82104468-001-05-0, Z57772443, F2190-0622, 3-Ethoxy-4-hydroxybenzaldehyde, Vetec(TM) reagent grade, 99%, Ethyl vanillin, United States Pharmacopeia (USP) Reference Standard, 3-Ethoxy-4-hydroxybenzaldehyde;Benzaldehyde, 3-ethoxy-4-hydroxy-;FEMA No. 2464, Ethyl vanillin, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H
Theoretical properties:
molecular_formula: C9H10O3
molecular_weight: 166.17 g/mol
exact_mass: 166.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Fine, crystalline needles
color: Fine, crystalline needles
odor: Finer and more intense vanilla
boiling_point: 285 °C
melting_point: 171 to 172 °F (NTP, 1992)
solubility: Slightly soluble (NTP, 1992)
flash_point: 145 °C (293 °F) - closed cup
vapor_pressure: 0.0000104 [mmHg]
Descriptions:
pubchem: Ethyl vanillin is a member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group. It has a role as an antioxidant and a flavouring agent. It is a member of benzaldehydes, a member of phenols and an aromatic ether. It is functionally related to a vanillin.
chebi: A member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group.
chembl: ETHYL VANILLIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Ethylvanillin is the organic compound with the formula (C2H5O)(HO)C6H3CHO. This colorless solid consists of a benzene ring with hydroxyl, ethoxy, and formyl groups on the 4, 3, and 1 positions, respectively. It is a homologue of vanillin, differing on the 3 position.