2-Ethylhexyl Acetate
PubChem CID: 7635
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| Compound Synonyms | 2-ETHYLHEXYL ACETATE, 103-09-3, Acetic acid, 2-ethylhexyl ester, 2-Ethyl-1-hexanol acetate, 2-Ethyl-1-hexyl acetate, 2-Ethylhexyl ethanoate, 2-Ethylhexanyl acetate, ethylhexyl acetate, beta-Ethylhexyl acetate, FEMA Number 2806, Acetic Acid 2-Ethylhexyl Ester, .beta.-ethylhexyl acetate, 2-Ethylhexylester kyseliny octove, Acetic acid alpha-ethylhexyl ester, NSC 8897, HSDB 2668, UNII-2C7K8OA8SB, EINECS 203-079-1, BRN 1758321, DTXSID8026694, CHEBI:87392, 2-Ethylhexylester kyseliny octove [Czech], AI3-07924, NSC-8897, 2C7K8OA8SB, DTXCID106694, EC 203-079-1, (+/-)-ETHYLHEXYL ACETATE, 4-02-00-00166 (Beilstein Handbook Reference), 2-ETHYLHEXYL ACETATE [HSDB], Acetic acid .alpha.-ethylhexyl ester, ETHYLHEXYL ACETATE, (+/-)-, 1-HEXANOL, 2-ETHYL-, ACETATE, 2-ethylhexylacetate, 2EH Acetate, CAS-103-09-3, 2-ethyl-hexylacetate, MFCD00027249, 2Ethyl1hexyl acetate, 2Ethylhexanyl acetate, 2Ethylhexyl ethanoate, betaEthylhexyl acetate, 2Ethyl1hexanol acetate, 2-Ethylhexyl acetate, 99%, SCHEMBL146937, Acetic acid, 2ethylhexyl ester, Acetic acid-2-ethylhexyl ester, 2Ethylhexylester kyseliny octove, 2-Ethylhexyl acetate, >=99%, CHEMBL1879713, Acetic acid alphaethylhexyl ester, ETHYLHEXYL ACETATE [INCI], NSC8897, WLN: 4Y2 & 1OV1, Tox21_201992, Tox21_303318, AKOS015915370, CS-W016020, NCGC00164202-01, NCGC00164202-02, NCGC00257097-01, NCGC00259541-01, BS-14180, DB-040415, A0031, NS00006194, Q5656537 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10828, P11473, P10275 |
| Iupac Name | 2-ethylhexyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C10H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WOYWLLHHWAMFCB-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -2.555 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.084 |
| Compound Name | 2-Ethylhexyl Acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7014615999999996 |
| Inchi | InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3 |
| Smiles | CCCCC(CC)COC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all