Ethyl Lactate
PubChem CID: 7344
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| Compound Synonyms | ETHYL LACTATE, 97-64-3, Ethyl 2-hydroxypropanoate, Actylol, Solactol, Acytol, Lactic acid, ethyl ester, Ethyl 2-hydroxypropionate, Propanoic acid, 2-hydroxy-, ethyl ester, Lactate d'ethyle, 2-Hydroxypropanoic acid ethyl ester, Eusolvan, Ethyl alpha-hydroxypropionate, Ethyl lactate (natural), FEMA No. 2440, Lactic Acid Ethyl Ester, DL-Ethyl Lactate, Ethylester kyseliny mlecne, Lactate d'ethyle [French], NSC 8850, HSDB 412, Ethylester kyseliny mlecne [Czech], ethyl DL-lactate, Ethyl ester of lactic acid, 2-Hydroxypropionic Acid Ethyl Ester, EINECS 202-598-0, UNII-F3P750VW8I, UN1192, BRN 1209448, Ethyl .alpha.-hydroxypropionate, Ethyl racemic-lactate, F3P750VW8I, DTXSID6029127, CHEBI:78321, PURASOLV ELS, VERTECBIO EL, AI3-00395, NSC-8850, ETHYL LACTATE [MI], (.+/-.)-Ethyl lactate, ETHYL LACTATE [FCC], ETHYL LACTATE [FHFI], ETHYL LACTATE [HSDB], ETHYL LACTATE [MART.], DTXCID509127, ETHYL LACTATE [WHO-DD], FEMA 2440, (+-)-Ethyl 2-hydroxypropanoate, (+-)-Ethyl 2-hydroxypropionate, 4-03-00-00643 (Beilstein Handbook Reference), UN 1192, (+/-)-LACTIC ACID ETHYL ESTER, (+/-)-ETHYL 2-HYDROXYPROPIONATE, ETHYL LACTATE (MART.), Ethylester kyseliny mlecne (Czech), Ethyl lactate,C5H10O3,97-64-3, EthylL-(-)-Lactate, ethyl-lactate, Ethyl lactic acid, Milchsaureathylester, MFCD00065359, lactic acid ethylester, (S)-(-)-2-Hydroxypropionic acid ethyl ester, Lactic acid-ethyl ester, Ethyl 2hydroxypropanoate, Ethyl 2hydroxypropionate, Mono-Ethyl mono-lactate, (+/-)-ethyl lactate, ETHYL RAC-LACTATE, ethyl-2-hydroxypropionate, Ethyl alphahydroxypropionate, Ethyl 2-hydroxypropanoate #, SCHEMBL22598, ETHYL LACTATE [INCI], Ethyl 2-hydroxypropanoic acid, (+-)-ETHYL LACTATE, WLN: QVY1 & O2, CHEMBL3186323, (.+-.)-ETHYL LACTATE, MSK6702, NSC8850, 2Hydroxypropanoic acid ethyl ester, DL-LACTIC ACID, ETHYL ESTER, Tox21_200889, 2-hydroxy-propionic acid ethyl ester, Ethyl lactate, >=98%, FCC, FG, AKOS009157222, Propanoic acid, 2hydroxy, ethyl ester, (+-)-LACTIC ACID ETHYL ESTER, 1ST6702, CAS-97-64-3, NCGC00248866-01, NCGC00258443-01, (.+-.)-LACTIC ACID ETHYL ESTER, AS-13500, SY030456, (.+-.)-ETHYL 2-HYDROXYPROPIONATE, DB-057680, A9137, Ethyl lactate, natural, >=98%, FCC, FG, Ethyl lactate, SAJ first grade, >=97.5%, L0003, NS00001187, Ethyl lactate [UN1192] [Flammable liquid], (-)-Ethyl L-lactate Natural, Kosher Certified, EN300-115258, A845735, Q415418, 2-[(4-benzylpiperazin-1-yl)methyl]isoindoline-1,3-dione, (R)-Ethyl D-lactate, (2R)-2-Hydroxypropionic acid ethyl ester, (R)-Ethyl D-lactate, (2R)-2-Hydroxypropionic acid ethyl ester, 202-598-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCOC=O)CO)C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Present in cabbage, peas, vinegar, bread, roasted chicken, butter, blackberry, pineapple, raspberry and various wines and spirits. Flavouring agent Ethyl lactate, also known as lactic acid ethyl ester, is a monobasic ester formed from lactic acid and ethanol, commonly used as a solvent. This compound is considered biodegradable and can be used as a water-rinsable degreaser. Ethyl lactate is found naturally in small quantities in a wide variety of foods including wine, chicken, and various fruits. The odor of ethyl lactate when dilute is mild, buttery, creamy, with hints of fruit and coconut. Ethyl lactate is found in many foods, some of which are milk and milk products, pineapple, pulses, and tea. |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 79.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-hydroxypropanoate |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.2 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LZCLXQDLBQLTDK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | 0.558 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.143 |
| Synonyms | (+-)-Ethyl 2-hydroxypropanoate, (+-)-Ethyl 2-hydroxypropionate, 2-Hydroxypropanoic acid ethyl ester, Actylol, Acytol, Ethyl &alpha, -hydroxypropionate, Ethyl alpha-hydroxypropionate, Ethyl ester of lactic acid, Ethyl lactate, Eusolvan, FEMA 2440, Lactic acid, ethyl ester, Solactol, Ethyl lactic acid, Ethyl ester OF lactic acid, Ethyl 2-hydroxypropanoic acid, Ethyl lactate, (R)-isomer, Ethyl lactate, (S)-isomer, ethyl 2-hydroxypropanoate, ethyl lactate |
| Esol Class | Very soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Ethyl Lactate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -0.5193183999999997 |
| Inchi | InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3 |
| Smiles | CCOC(=O)C(C)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carboxylic acid esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248 - 6. Outgoing r'ship
FOUND_INto/from Dimocarpus Longan (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199607)11:4<223::aid-ffj579>3.0.co;2-b - 7. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100205 - 8. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108 - 9. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933 - 12. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all