Isopropyl Alcohol
PubChem CID: 3776
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| Compound Synonyms | isopropanol, Isopropyl alcohol, 2-Propanol, Propan-2-ol, 67-63-0, 2-Hydroxypropane, Alkolave, Avantine, Hartosol, Dimethylcarbinol, i-Propanol, sec-Propyl alcohol, Takineocol, Alcojel, Avantin, Petrohol, 1-Methylethanol, 2-Propyl alcohol, Isohol, Lavacol, Lutosol, Propol, Alcosolve 2, Imsol A, Alcosolve, Arquad DMCB, Spectrar, 1-Methylethyl alcohol, Alcolo, i-Propylalkohol, Combi-schutz, n-Propan-2-ol, i-Propyl alcohol, Iso-propylalkohol, Isopropyl alcohol, rubbing, ISO-PROPANOL, Alcool isopropilico, Alcool isopropylique, Visco 1152, sec-Propanol, Sterisol hand disinfectant, Iso-propyl alcohol, i-Propanol [German], iso-propylalcohol, Alcohol,isopropyl, FEMA No. 2929, FEMA Number 2929, i-Propylalkohol [German], Alcohol, Isopropyl, Iso-propylalkohol [German], Alcool isopropilico [Italian], Alcool isopropylique [French], CCRIS 2308, HSDB 116, Isopropylalkohol, isopropy alcohol, 2-propanolum, propanol-2, EINECS 200-661-7, NSC 135801, NSC-135801, BRN 0635639, ZURAGARD, DTXSID7020762, UNII-ND2M416302, CHEBI:17824, AI3-01636, Isopropyl alcohol (USP), Isopropyl alcohol [USP], MFCD00011674, ND2M416302, IPS 1, DTXCID50762, EC 200-661-7, 4-01-00-01461 (Beilstein Handbook Reference), NSC135801, ISOPROPYL ALCOHOL (ISOPROPANOL), 2-Propanol, anhydrous, NCGC00090917-01, Rubbing alcohol, DURAPREP COMPONENT ISOPROPYL ALCOHOL, SOLUPREP COMPONENT ISOPROPYL ALCOHOL, CHLORAPREP COMPONENT ISOPROPYL ALCOHOL, iPrOH, 2-PROPANOL (USP-RS), 2-PROPANOL [USP-RS], ISOPROPYL ALCOHOL (II), ISOPROPYL ALCOHOL [II], ISOPROPYL ALCOHOL (IARC), ISOPROPYL ALCOHOL [IARC], 2-Propanol, USP, 99.0%, Caswell No. 507, ISOPROPYL ALCOHOL (MART.), ISOPROPYL ALCOHOL [MART.], isopropylalcohol, ISOPROPYL ALCOHOL(2-D), 2 Propanol, 2-Propanol, ACS reagent, >=99.5%, CAS-67-63-0, ISOPROPYL ALCOHOL (EP MONOGRAPH), ISOPROPYL ALCOHOL [EP MONOGRAPH], ACETONE IMPURITY B (EP IMPURITY), ACETONE IMPURITY B [EP IMPURITY], ISOPROPYL ALCOHOL (USP MONOGRAPH), ISOPROPYL ALCOHOL [USP MONOGRAPH], Isopropyl alcohol, Propan-2-ol, 2-Propanol, UN1219, ISOPROPYL ALCOHOL(1,1,1,3,3,3-D6), isopropyl, ISOPROPYL ALCOHOL(1,1,1,2,3,3,3-D7), isoproylalcohol, sparkle, Stanitizer, Umbiliclean, Aplicare, Cornells, Everclear, Handwipe, Hanitize, Medpride, Purifie, Sanacare, Septinol, Unichem, Virahol, i-propylalcohol, Isopro, Lavaco, Meijer, Purity, ChemBrite, Clean, Curad, Forto, Germstaroriginal, SaniClean, 2propanol, DivasWintergreen, Iris, Wish, 2-propylalcohol, Alcohol Sterile, isoproyl alcohol, Jianze Alcohol, Publix Alcohol, Rush Sanitizers, Sanitizing Wipe, Sterile Alcohol, Winner Alcohol, Wise shield, Alcohol Pads, Alcohol Prep, Alcohol Swab, Aurora Fresh, Curad Alcohol, Lens Cleaner, Protector Gel, School Health, Travel Wipes, TopCo, ZuraGard Clear, Derma Hands, Korkay Sanitizer, lsopropyl alcohol, Prime Collection, Sani-Spray, Simple Sanitizer, Swim-ear, Thompson Alcohol, Walgreen Alcohol, ZuraGard Blue, Isopropyl-alcohol, propane-2ol, United CleanPlus, Anti Germ, Germs Out, Oido Sana, propan-2ol, Real 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(9 ml), 2-Propanol, BioUltra, for molecular biology, >=99.5% (GC), AlphaProMed AlphaCol Sterile Isopropyl Alcohol Preparation Pad, AMORAY 70% ISOPROPYL RUBBING ALCOHOL WITH WINTERGREEN, AMORAY 99% ISOPROPYL RUBBING ALCOHOL WITH WINTERGREEN, HAND SANITIZER-ISOPROPYL ALCOHOL ANTISEPTIC75 PERCENT, Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid], Isopropyl alcohol, EuropePharmacopoeia (EP) Reference Standard, Isopropyl alcohol, meets EP, BP, USP testing specifications, McClains Extra Strength And Moisture Hand Sanitizer Original, 2-Propanol, >=99.7%, suitable for absorption spectrum analysis, 2-Propanol, United States Pharmacopeia (USP) Reference Standard, Bioprotect Hand Sanitizer Isopropyl Alcohol Antiseptic 75 percent, First Aid Antiseptic Alcohol Pads Isopropyl Alcohol 70 Rite Aid, HEALTH SMART 50% ISOPROPYL RUBBING ALCOHOL WITH WINTERGREEN, HEALTH SMART 70% ISOPROPYL RUBBING ALCOHOL WITH WINTERGREEN, new life Rubbing Isopropyl Alcohol 70% First Aid and Antiseptic, PHARMACY PRESCRIPTION 70% ISOPROPYL ALCOHOL WITH WINTERGREEN, WISE SHOPPER 50% ISOPROPYL RUBBING ALCOHOL W/ WINTERGREEN, 2-Propanol, Pharmaceutical Secondary Standard, Certified Reference Material, 2-Propanol, semiconductor grade MOS PURANAL(TM) (Honeywell 17930), 2-Propanol, semiconductor grade ULSI PURANAL(TM) (Honeywell 17022), 2-Propanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17604), AMERICAN REDCROSS 70% ISOPROPYL RUBBING ALCOHOL WITH WINTERGREEN, AMERICAN REDCROSS 91% ISOPROPYL RUBBING ALCOHOL WITH WINTERGREEN, Evergreen LEMON SCENTED ANTIBACTERIAL CLEANING MULTI-PURPOSE WIPES, Germ Shark Thick Premium Disinfecting Alcohol Wipes 70 Isopropyl Alcohol, Hand Sanitizer Liquid Isopropyl Alcohol Antiseptic 75% Topical Liquid, MORE SAVINGS 50 PERCENT ISOPROPYL RUBBING ALCOHOLWITH WINTERGREEN, Primest Hand Sanitizer Isopropyl Antiseptic Non-Sterile Topical Solution 70, Primest Hand Sanitizer Isopropyl Antiseptic Non-Sterile Topical Solution 75, SaniClean Isopropyl Alcohol 75% Topical Solution Gel, Unscented (HP2468), 2-Propanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% (GC), 2-Propanol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), Crime Scene Wipe (TM) Isopropyl Alcohol 75% Hand Sanitizing Wipeand Sanitizer, Germ Shark PX3 Thick Premium Disinfecting Alcohol Hand Wipes 70 Isopropyl Alcohol, Isopropyl Alcohol Antiseptic 75% Topical Hand Sanitizer Non-Sterile Solution, Isopropyl Alcohol Antiseptic 75% Topical Solution Hand Sanitizer Non-Sterile Solution, SaniClean HP Isopropyl Alcohol Antiseptic 75% Topical Solution Gel Unscented (HP2502), Saniclean HP Isopropyl Alcohol Antiseptic 75% Topical Solution Gel, Lemon Scented (HP2512), SaniClean HP Isopropyl Alcohol Antiseptic 75% Topical Solution Gel, Unscented (HP2515), SaniClean HP Isopropyl Alcohol Antiseptic 75% Topical Solution nscented Liquid (HP2514), SaniClean Isopropyl Alcohol Antiseptic 70% Topical Solution Gel, Unscented (HP2502), SaniClean Isopropyl Alcohol Antiseptic 75% Topical Solution Gel, Unscented (HP2473), 1344575-38-7, 200-661-7, Saniclean Isopropyl Alcohol Antiseptic 75% Topical Solution Gel, Citrus Floral Scented (HP2511) |
|---|---|
| Ghose Rule | False |
| 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 | CCO)C |
| Heavy Atom Count | 4.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Present in fruit aromas, e.g. papaya (Carica papaya). It is used as an extraction solvent in food preparation Isopropyl alcohol is a colorless, flammable chemical compound with a strong odor. It is the simplest example of a secondary alcohol, where the alcohol carbon is attached to two other carbons sometimes shown as (CH3)2CHOH. It is a structural isomer of propanol. 2-Propanol is found in papaya and roselle. |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 10.8 |
| 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 | Q15166, P27169, Q15165, P11117, P30041, Q7Z4W1, O00204, P07998, P14550, P08236, Q9BTY2, Q13231, P17900, O95237, P01375, Q14994, Q96K12, Q6E213, Q9BZG2, Q6NT32, Q13838, Q9BV57, Q8TE99, Q9HCJ6, Q53FA7, Q99536 |
| Uniprot Id | P14555, Q15166, P27169, Q15165, P09923, P11117, P05186, P13686, P10696, P30041, P30837, Q7Z4W1, O00204, P07998, Q00796, P14550, P08319, P23526, P00325, P07327, P28332, P08236, Q9BTY2, P30793, Q9BV79, Q13231, O60942, P17900, O95237, P01375, Q14994, Q8N4Q0, Q8IWW8, Q96K12, Q6E213, Q9UEF7, P07478, Q9BZG2, Q6NT32, Q13838, Q9BV57, Q8TE99, Q9HCJ6, Q53FA7, Q99536, Q8WWV3, n.a., P02545, P00352, P10828, P10275, Q16236, P04792, Q03181, P05412 |
| Iupac Name | propan-2-ol |
| Prediction Hob | 1.0 |
| Class | Alcohols and polyols |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Target Id | NPT483, NPT94 |
| Xlogp | 0.3 |
| Superclass | Organooxygen compounds |
| Subclass | Secondary alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFZMGEQAYNKOFK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.989 |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Logd | -0.051 |
| Synonyms | 1-Hydroxy-1-methylethyl, 1-methylethanol, 1-Methylethyl alcohol, 2-Hydroxypropane, 2-Propanol, Isopropanol, 2-Propyl alcohol, Alcohol, isopropyl, Alcojel, Alkolave, Avantin, Avantine, Bowsteral, Dimethylcarbinol, Ethyl, 1-hydroxy-1-methyl-, FEMA 2929, Hartosol, I-Propanol, I-Propylalkohol, Isopropanol, Isopropryl alcohol, Isopropyl alcohol, Isopropylalkohol, Lavaco, n-Propan-2-ol, Petrohol, Propan-2-ol, Propane, 2-hydroxy-, Propanol-2, Sec-propanol, Sec-propyl alcohol, Takineocol, 1-Methylethanol, 2-Propanol, I-propanol, I-propylalkohol, IPA, Isopro, Alcohol, rubbing, Rubbing alcohol, 2 Propanol, ISOPROPYL alcohol, 2-propanol, isopropanol, isopropyl alcohol |
| Substituent Name | Secondary alcohol, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Isopropyl Alcohol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 60.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 60.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 60.1 |
| 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 | -0.42679520000000004 |
| Inchi | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 |
| Smiles | CC(C)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Secondary alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/9734714 - 9. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698190 - 11. Outgoing r'ship
FOUND_INto/from Hibiscus Sabdariffa (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/1281095 - 13. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17995640 - 14. Outgoing r'ship
FOUND_INto/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701112 - 15. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9699345 - 16. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:ISBN:9788172360818 - 17. Outgoing r'ship
FOUND_INto/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700988 - 18. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/9919965 - 19. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 20. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1495108 - 21. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:ISBN:9788172361150 - 22. Outgoing r'ship
FOUND_INto/from Telosma Cordata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080410