Phenoxyethanol
PubChem CID: 31236
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| Compound Synonyms | 2-PHENOXYETHANOL, Phenoxyethanol, 122-99-6, Ethylene glycol monophenyl ether, Phenyl cellosolve, Phenoxethol, Ethanol, 2-phenoxy-, Phenoxytol, 2-Phenoxyethan-1-Ol, Ethylene glycol phenyl ether, 1-Hydroxy-2-phenoxyethane, Phenoxetol, Phenoxyethyl alcohol, Rose ether, Phenylmonoglycol ether, Arosol, Fenyl-cellosolve, 2-Fenoxyethanol, Dowanol EP, 2-Phenoxyethyl alcohol, Glycol monophenyl ether, 2-Hydroxyethyl phenyl ether, Fenylcelosolv, Phenylglycol, Dowanol EPH, 2-Phenoxy-ethanol, Emery 6705, Emeressence 1160, EGMPE, beta-Hydroxyethyl phenyl ether, MFCD00002857, Plastiazan-41, NSC 1864, PHE-G, .beta.-Hydroxyethyl phenyl ether, HSDB 5595, UNII-HIE492ZZ3T, NSC-1864, 9004-78-8, EINECS 204-589-7, HIE492ZZ3T, BRN 1364011, CCRIS 9481, Phenoxyethanol [NF], Ethylene glycol-monophenyl ether, AI3-00752()C, DTXSID9021976, CHEBI:64275, PHE-S, .beta.-Phenoxyethyl alcohol, DTXCID401976, 2-Phenoxyethyl--d4 Alcohol, FEMA NO. 4620, EC 204-589-7, 4-06-00-00571 (Beilstein Handbook Reference), Phenoxyethanol (NF), NCGC00090731-01, NCGC00090731-05, PHENOXYETHANOL (II), PHENOXYETHANOL [II], PHG, PHENOXYETHANOL (MART.), PHENOXYETHANOL [MART.], PHENOXYETHANOL (USP-RS), PHENOXYETHANOL [USP-RS], Fenylcelosolv [Czech], 2-Fenoxyethanol [Czech], Fenyl-cellosolve [Czech], PHENOXYETHANOL (EP MONOGRAPH), PHENOXYETHANOL [EP MONOGRAPH], Plastiazan-41 [Russian], beta-Phenoxyethanol, CAS-122-99-6, .beta.-Phenoxyethanol, phenylcellosolve, Phenoxyethanolum, Dalpad A, 2-phenyloxyethanol, Newpol EFP, 2-phenoxy ethanol, 2-(phenoxy)ethanol, 2-phenoxy-1-ethanol, CPAP WIPES, VAXOL PURI, beta-phenoxyethylalcohol, starbld0047047, 2-Phenoxyethanol, 9CI, 2-Phenoxyethanol, 99%, Phenoxyethanol (Standard), WLN: Q2OR, 2-Phenoxyethanol-1,1-d2, SCHEMBL15708, 2-Phenoxyethanol, >=99%, PHENOXYETHANOL [HSDB], MLS002174254, ethyleneglycol monophenyl ether, Euxyl K 400 (Salt/Mix), ProClin? 8020 preservatives, 2-PHENOXYETHANOL [MI], Fungal Terminator (veterinary), PHENOXYETHANOL [WHO-DD], CHEMBL1229846, HY-B1729R, MSK2538, NSC1864, HMS2268A20, HY-B1729, STR04582, WAA27338, Tox21_111002, Tox21_113532, Tox21_202111, Tox21_300842, BBL027410, STK802556, 2-Phenoxyethanol, analytical standard, Fungal Terminator [veterinary] (TN), AKOS000118741, Tox21_111002_1, 1ST2538, DB11304, FP31791, NCGC00090731-02, NCGC00090731-03, NCGC00090731-04, NCGC00090731-06, NCGC00090731-07, NCGC00090731-08, NCGC00254745-01, NCGC00259660-01, 56257-90-0, DA-76810, Ethylene glycol monophenyl ether, >=90%, SMR000112131, ETHANOL,2-PHENOXY MFC8 H10 O2, CS-0013737, NS00002984, P0115, P1953, EN300-19339, 2-Phenoxyethanol, tested according to Ph.Eur., D08359, G74506, SBI-0653920.0001, Q418038, SR-01000838345, SR-01000838345-2, F1905-6997, Z104473570, Ethylene glycol monophenyl ether, SAJ first grade, >=95.0%, Phenoxyethanol, European Pharmacopoeia (EP) Reference Standard, Phenoxyethanol, United States Pharmacopeia (USP) Reference Standard, InChI=1/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H, 2-Phenoxyethanol, Pharmaceutical Secondary Standard, Certified Reference Material |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCCOcccccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenol ethers |
| Description | Flavouring ingredient [CCD] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 77.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P46063, P00352, P19793, P10275, Q9UNA4, P10828, P04150, P04637, Q9R1A7, P63092 |
| Iupac Name | 2-phenoxyethanol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.2 |
| Superclass | Benzenoids |
| Subclass | Phenol ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| State | Liquid |
| Synonyms | 1-Hydroxy-2-phenoxyethane, 2-Hydroxyethyl phenyl ether, 2-Phenoxyethanol, 9CI, 2-Phenoxyethyl alcohol, b-Hydroxyethyl phenyl ether, beta-Hydroxyethyl phenyl ether, Dalpad A, Ethylene glycol monophenyl ether, Ethylene glycol phenyl ether, Newpol EFP, Phenoxetol, Phenoxyethanol, Phenoxytol, Phenyl cellosolve, Phenylcellosolve, Phenylmonoglycol ether, β-hydroxyethyl phenyl ether, Fungal terminator, Β-hydroxyethyl phenyl ether, 2-Phenoxyethanol, 9ci, Dalpad a, Newpol efp, Emuclens, Erisept, Phenoxethol, phenoxyethanol |
| Substituent Name | Phenol ether, Alkyl aryl ether, Ether, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CO, cOC |
| Compound Name | Phenoxyethanol |
| Kingdom | Organic compounds |
| Exact Mass | 138.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 138.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| Smiles | C1=CC=C(C=C1)OCCO |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenol ethers |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700021