Cetyl Alcohol
PubChem CID: 2682
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| Compound Synonyms | 1-Hexadecanol, cetyl alcohol, Hexadecan-1-ol, 36653-82-4, HEXADECANOL, Cetanol, Palmityl alcohol, Hexadecyl alcohol, N-Hexadecanol, n-1-Hexadecanol, n-Cetyl alcohol, Cetaffine, Cetylol, Ethal, Ethol, Cetylic alcohol, n-Hexadecyl alcohol, Cetal, Crodacol C, Loxanwachs SK, Loxanol K extra, Elfacos C, Loxanol K, 1-Hexadecyl alcohol, Atalco C, Cetalol CA, Crodacol-CAS, Crodacol-CAT, Siponol CC, Lanol C, 1-Cetanol, Hyfatol 16, Cachalot C-50, Cachalot C-51, Cachalot C-52, Alcohol C-16, Aldol 54, Dytol F-11, palmitic alcohol, Cyclal cetyl alcohol, Alfol 16, Lorol 24, Adol 52, Adol 54, Hyfatol, Adol, Adol 52 NF, 1-Hexadecyl alc, 16-Hexadecanol, Epal 16NF, C16 alcohol, Cetylalkohol, Adol 520, Isocetyl alcohol, n-Hexadecan-1-ol, Cetyl alchol, 1-Hexanedecanol, Alcohol cetylicus, FEMA No. 2554, FEMA Number 2554, Hexadecyl alcohol, normal, Normal primary hexadecyl alcohol, CO-1670, CO-1695, Isohexadecyl alcohol, Adol 52NF, SSD RP, HSDB 2643, Lipocol C, UNII-936JST6JCN, Fancol CA, Cetyl alcohol NF, NSC 4194, NSC-4194, EINECS 253-149-0, 936JST6JCN, Crodacol C70, Rita CA, 1-Hydroxyhexadecane, Cetanol (TN), Lanette 16, BRN 1748475, Philcohol 1600, Cetyl alcohol (NF), Cetyl alcohol [NF], Lorol C16, LorolL 24, DTXSID4027991, Cachalot C-50 NF, CHEBI:16125, AI3-00755, NSC4194, MFCD00004760, DTXCID607991, EC 253-149-0, 4-01-00-01876 (Beilstein Handbook Reference), N-HEXADECYL-D33 ALCOHOL, 124-29-8, NCGC00159368-02, NCGC00159368-05, CETYL ALCOHOL (II), CETYL ALCOHOL [II], Hexadecanol (VAN), CETYL ALCOHOL (MART.), CETYL ALCOHOL [MART.], Cetyl alcohol, hexadecan-1-ol, CETYL ALCOHOL (USP-RS), CETYL ALCOHOL [USP-RS], cetylalcohol, Caswell No. 165D, CETYL ALCOHOL (EP MONOGRAPH), CETYL ALCOHOL [EP MONOGRAPH], CAS-36653-82-4, 75736-52-6, EPA Pesticide Chemical Code 001508, Cetyl alcohol (hexadecanol), hexadecylalcohol, Hexadecanol NF, Ceraphyl ICA, n-hexadecylalcohol, C16H34O, Crodacol C95NF, Eutanol G16, Crodacol C95 NF, Laurex 16, Alfol 16RD, SSD (Salt/Mix), Cetanol (JP18), Epal 16, Hyfatol 16-95, Kalcol 6098, Loxiol VPG 1743, 1-Hexadecanol, 95%, SSD RP (Salt/Mix), CETANOL [JAN], 1-Hexadecanol (Standard), bmse000487, CHEMBL706, Michel XO-150-16, 1-Hexadecanol, >=99%, CETYL ALCOHOL [MI], SCHEMBL3381, CETYL ALCOHOL [HSDB], 1-HEXADECANOL [FHFI], CETYL ALCOHOL [VANDF], CETYL ALCOHOL [WHO-DD], CETYL ALCOHOL [WHO-IP], CETYL ALCOHOL 0.80%, PRIMARY HEXADECYL ALCOHOL, HY-B1465R, Cetyl alcohol, analytical standard, Cetyl alcohol, puriss., 95.0%, HMS3652H05, CS-D1348, HY-B1465, EINECS 252-964-9, Tox21_111609, Tox21_300325, LMFA05000061, s4173, STL283943, UNII-1800H64066, AKOS005287456, Daily Moisturizing with Colloidal Oats, Tox21_111609_1, 1-Hexadecanol, ReagentPlus(R), 99%, CCG-266894, DB09494, FH37717, USEPA/OPP Pesticide Code: 001508, ALCOHOL CETYLICUS [WHO-IP LATIN], All Day Skin Relief with Colloidal Oats, NCGC00159368-03, NCGC00159368-04, NCGC00159368-06, NCGC00254286-01, BS-16666, Cetyl alcohol, puriss., >=99.0% (GC), H0071, NS00010707, SW219201-1, Cetyl alcohol, SAJ special grade, >=98.0%, Cetyl alcohol, Selectophore(TM), >=99.0%, EN300-19351, 1-Hexadecanol, Vetec(TM) reagent grade, 94%, C00823, D00099, SBI-0635048.0002, AB01566915_01, Q161632, SR-01000944409, SR-01000944409-1, BRD-K37203094-001-02-5, BRD-K37203094-001-03-3, 1800H64066, 810F139F-C57E-4DF1-916A-A320AD0DAF4D, F0001-1047, Z104473594, Cetyl alcohol, European Pharmacopoeia (EP) Reference Standard, Cetyl alcohol, United States Pharmacopeia (USP) Reference Standard, Cetyl Alcohol, Pharmaceutical Secondary Standard, Certified Reference Material, 253-149-0, InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring ingredient. Cetyl alcohol is found in many foods, some of which are rocket salad (sspecies), soft-necked garlic, bitter gourd, and kohlrabi. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q8WVX9, Q96K12, Q58HT5, Q6E213 |
| Uniprot Id | O00116, Q8WVX9, Q96K12, Q58HT5, Q6E213, P02545, Q03164, O94782, n.a., P27695, P0DTD1, Q16236 |
| Iupac Name | hexadecan-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT483 |
| Xlogp | 7.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXWNKGSJHAJOGX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -6.475 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 3.956 |
| Synonyms | 1-Cetanol, 1-Hexadecanol, 1-Hexadecyl alc, 1-Hexadecyl alcohol, 1-Hexanedecanol, 1-Hydroxyhexadecane, 16-Hexadecanol, Adol, Adol 52, Adol 52 NF, Adol 52NF, Adol 54, Alcohol C-16, Aldol 54, Alfol 16, Atalco C, C16 Alcohol, Cachalot C-50, Cachalot C-50 NF, Cachalot C-51, Cachalot C-52, Ceraphyl ica, Cetaffine, Cetal, Cetalol ca, Cetanol, Cethyl alcohol, Cetyl alcohol NF, Cetyl alcohol, USAN, Cetylalkohol, Cetylic alcohol, Cetylol, Crodacol C, Crodacol C70, Crodacol C95NF, Crodacol-cas, Crodacol-cat, Cyclal cetyl alcohol, Dehydag wax 16, Dytol F-11, Elfacos C, Epal 16NF, Ethal, Ethol, Eutanol g16, Exxal 16, Fancol ca, Fatty alcohol, FEMA 2554, Hexadecan-1-ol, Hexadecanol, Hexadecanol NF, Hexadecyl alcohol, Hyfatol, Hyfatol 16, Isocetyl alcohol, Isohexadecanol, Isohexadecyl alcohol, Lanette 16, Lanol C, Lipocol C, Lorol 24, Lorol C16, LorolL 24, Loxanol k, Loxanol k extra, Loxanwachs sk, Loxiol vpg 1743, Michel xo-150-16, N-1-Hexadecanol, N-Cetyl alcohol, N-Hexadecan-1-ol, N-Hexadecanol, N-Hexadecyl alcohol, Normal primary hexadecyl alcohol, Palmityl alcohol, Philcohol 1600, Product 308, Rita ca, Siponol CC, Siponol wax-a, SSD, SSD rp, Cetyl alcohol, Adol 52nf, Cetostearyl alcohol, Epal 16nf, Loxanol K, Loxanol K extra, Loxanwachs SK, Loxiol VPG 1743, Myristyl alcohol, SSD RP, Cetyl alcohol, 14C-labeled, Cetyl alcohol, aluminum salt, 1-hexadecanol, 1.11-hexadecanol, cetyl alcohol, hexadecan-1-ol, hexadecanol, hexadecanol* |
| Substituent Name | Long chain fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | Cetyl Alcohol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 242.44 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.898471399999999 |
| Inchi | InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
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