Propylene Glycol
PubChem CID: 1030
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| Compound Synonyms | propylene glycol, 1,2-propanediol, 57-55-6, propane-1,2-diol, 1,2-Propylene glycol, 1,2-dihydroxypropane, 2-Hydroxypropanol, Isopropylene glycol, Methylethyl glycol, Methylethylene glycol, Monopropylene glycol, Dowfrost, Sirlene, Trimethyl glycol, 2,3-Propanediol, Propylene Glycol USP, Solargard P, alpha-Propyleneglycol, Solar Winter BAN, dl-Propylene glycol, DL-1,2-Propanediol, Ucar 35, 1,2-Propylenglykol, (RS)-1,2-Propanediol, Sentry Propylene Glycol, PG 12, FEMA No. 2940, (+-)-1,2-Propanediol, Kilfrost ABC-S, (+-)-Propylene glycol, Caswell No. 713, General lube, Kollisolv pg, CCRIS 5929, HSDB 174, 1,2 Propanediol, All purpose lubricant, AI3-01898, alpha-Propylene glycol, 1,2-Propylenglykol [German], NSC 69860, HOCH2CH(OH)Me, MeCH(OH)CH2OH, EPA Pesticide Chemical Code 068603, CHEBI:16997, Propyleneglycolum, .alpha.-Propylene glycol, CH3CH(OH)CH2OH, HOCH2CH(OH)CH3, 1,2-(RS)-Propanediol, propylene glycerol, Propylene glycol (solvent), 1,2-propandiol, EINECS 200-338-0, (+/-)-1,2-propanediol, 1000PG, MFCD00064272, NSC-69860, SDM No. 27, 1,2-propane-diol, Ins-1520, UNII-6DC9Q167V3, BRN 1340498, DTXSID0021206, PROPANEDIOL-, 6DC9Q167V3, Propylene glycol dl-form, S-(+)-Propylene glycol, Ins no.1520, 123120-98-9, propylenglycol, Propylene glycol [USP:JAN], DTXCID901206, 1,2-Propanediol (8CI,9CI), ( inverted exclamation markA)-1,2-Propanediol, 1,2-PDO, E-1520, EC 200-338-0, (2RS)-PROPANE-1,2-DIOL, NSC69860, L-1,2-propanediol, Poly(propylene glycol) average Mn 400, NCGC00090739-02, Poly(propylene glycol) average Mn 2000, Poly(propylene glycol) average Mn 4000, Prolugen, Propylene glycol (USP:JAN), PROPYLENE GLYCOL (II), PROPYLENE GLYCOL [II], propylene-glycol, C3H8O2, Propan-1,2-Diol, Ilexan P, PROPYLENE GLYCOL (MART.), PROPYLENE GLYCOL [MART.], PROPYLENE GLYCOL (USP-RS), PROPYLENE GLYCOL [USP-RS], 1,2-(RS)-Propanediol, 1,2-Dihydroxypropane, 1,2-Propylene glycol, PROPYLENE GLYCOL (EP MONOGRAPH), PROPYLENE GLYCOL [EP MONOGRAPH], Glycol, Propylene, CAS-57-55-6, PROPYLENE GLYCOL (USP MONOGRAPH), PROPYLENE GLYCOL [USP MONOGRAPH], 63625-56-9, GLYCEROL IMPURITY C (EP IMPURITY), GLYCEROL IMPURITY C [EP IMPURITY], 1,2-propane diol, ()-1,2-propanediol, (S)-(+)-Propylene glycerol, Propilenoglicol, Propylenglykol, Propylenglycolum, Systane Balance, Metiletilenglicol, Propyleeniglykoli, Vet Lube, Glicol propilenico, Glikol propylenowy, 1-2-propanediol, 1.2-propanediol, OB Lube, 2-Dihydroxypropanol, Propylene glycol, (RS)-propane-1,2-diol, Glycerol Imp. C (EP), GR 43314X, Glycerol Impurity C, Systane COMPLETE, 1,2 -propanediol, Lubiseptol Lubricant, 1,2-Hydroxypropane, 1,2-propyleneglycol, Propylene Glycol (Propane-1,2-diol), Propane-1,2-glycol, LS-1391, DEROFEN MIEL, Sirlene /Former use/, KETO-TREAT, Propylene glycol, USP, Sterile Lubricant drops, Systane COMPLETE PF, Propylene glycol (TN), racemic propylene glycol, racemic 1,2-propanediol, DSSTox_CID_1206, Walgreen Sterile Lubricant, Propylene Glycol U.S.P., bmse000302, Epitope ID:161748, GENERAL OB LUBRICANT, propylene glycol cefatrizine, CVS Health Lubricant Drops, 1,2-Propanediol 100 microg/mL in Acetonitrile, DSSTox_RID_78594, Propylene glycol, FCC, FG, DSSTox_GSID_27863, 3-01-00-02142 (Beilstein Handbook Reference), MLS001055394, PROPYLENE GLYCOL [MI], WLN: QY1&1Q, Eyelash and Eyebrow Lengthener, PROPYLENE GLYCOL [FCC], PROPYLENE GLYCOL [JAN], CHEMBL286398, GR12, Propylene glycol (JP18/USP), 1,2-Propanediol, ACS reagent, CVS Lubricant Eye Drops 15mL, PROPYLENE GLYCOL [FHFI], PROPYLENE GLYCOL [HSDB], PROPYLENE GLYCOL [VANDF], (.+/-.)-1,2-Propanediol, PROPYLENE GLYCOL [WHO-DD], PROPYLENE GLYCOL [WHO-IP], HMS3039O11, 1,2-Propanediol, LR, >=99%, BCP23677, HY-Y0921, NSC35747, NSC35748, NSC35749, Tox21_111003, Tox21_201812, Tox21_300006, Tox21_301441, 1,2-Propanediol, USP, 99.5%, BBL011472, MSK000649, NSC-35747, NSC-35748, NSC-35749, STL146584, 1,2-Propanediol, analytical standard, Equate Support Moisture Lubricant Eye, 1,2-Propanediol, puriss., 99.5%, AKOS000121049, AKOS016355793, Poly(propylene glycol) - M.W=4000, PROPYLENE GLYCOL DL-FORM [MI], Walgreens Complete Lubricant Eye Drops, DB01839, FP35394, SB44656, SB44657, PROPYLENEGLYCOLUM [WHO-IP LATIN], Restorative Formula Lubricant Eye Drops, USEPA/OPP Pesticide Code: 068603, NCGC00090739-01, NCGC00090739-03, NCGC00090739-04, NCGC00254159-01, NCGC00255183-01, NCGC00259361-01, 1,2-Propanediol, ReagentPlus(R), 99%, BP-21014, DA-66939, E490, FP177015, HEB Lubricant Eye Drops Dry Eye Therapy, Non Spermicidal Sterile Lubricating Jelly, SMR000677948, SY003769, SY003770, 1ST000649, CAS-25322-69-4, DB-013280, Lubricant Eye Drops Restorative Performance, PROPYLENE GLYCOL (SOLVENT) [VANDF], 1,2-Propanediol, ACS reagent, >=99.5%, 1,2-Propanediol, ReagentPlus(R), >=99%, CS-0015917, E1520, NS00009085, P0485, S6258, EN300-21726, 1,2-Propanediol, analytical reference material, 1,2-Propanediol, tested according to Ph.Eur., C00583, D00078, 1,2-Propanediol, p.a., ACS reagent, 99.5%, 1,2-Propanediol, SAJ first grade, >=99.0%, 1,2-Propanediol, SAJ special grade, >=99.0%, 1,2-Propanediol, Vetec(TM) reagent grade, 98%, Equate Lubricant Eye Drops Restorative Performance, Propylene Glycol, meets USP testing specifications, Q161495, BRD-A19232309-001-08-6, Walgreens Lubricant Eye Drops Restorative Performance, F1908-0071, Z106938868, 1,2-Propanediol, puriss. p.a., ACS reagent, >=99.5% (GC), Propylene glycol, British Pharmacopoeia (BP) Reference Standard, Propylene glycol, European Pharmacopoeia (EP) Reference Standard, Propylene glycol, United States Pharmacopeia (USP) Reference Standard, (R)-(-)-1,2-Propyleneglycol, (R)-(-)-Propylene glycerol, (R)-(-)-Propylene glycol, 1,2-Propanediol, meets analytical specification of Ph. Eur., BP, USP, >=99.5%, Propylene glycol, Pharmaceutical Secondary Standard, Certified Reference Material, 200-338-0, 613-293-0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 5.0 |
| Pathway Kegg Map Id | map00620 |
| Description | Propylene glycol is an anticaking agent, antioxidant, dough strengthener, emulsifier, flavouring agent, formulation aid, humectant, solvent, preservative, stabiliser, hog/poultry scald agent, and surface active agent. It is found in foods such as roasted sesame seeds, oats, truffle and other mushrooms. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 20.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NUW8, P83916, P51449, O75762, n.a. |
| Iupac Name | propane-1,2-diol |
| Prediction Hob | 1.0 |
| Class | Alcohols and polyols |
| Target Id | NPT50 |
| Xlogp | -0.9 |
| Superclass | Organooxygen compounds |
| Subclass | Polyols |
| Molecular Formula | C3H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.858 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Logd | -1.514 |
| Synonyms | (RS)-1,2-propanediol, 1,2-(RS)-propanediol, 1,2-Dihydroxypropane, 1,2-Propanediol, 1,2-Propylene glycol, 1,2-Propylenglykol, 2-Hydroxypropanol, 2,3-Propanediol, 3-Deoxyglycerol, a-Propylene glycol, a-Propyleneglycol, Aliphatic alcohol, alpha-Propylene glycol, alpha-Propyleneglycol, CH3CH(OH)CH2OH, Chilisa fe, DL-1,2-Propanediol, DL-Propylene glycol, Dowfrost, E1520, FEMA 2940, HOCH2CH(OH)CH3, HOCH2CH(OH)Me, Ilexan P, Inhibited 1,2-propylene glycol, Isopropylene glycol, MeCH(OH)CH2OH, Methyl glycol, Methylethyl glycol, Methylethylene glycol, Monopropylene glycol, PPD, Prolugen, Propane-1,2-diol, Propanediol, Propylene glycol, Propylene glycol usp, Propylenglycol, Sentry propylene glycol, Sirlene, Solar winter ban, Solargard P, Trimethyl glycol, Ucar 35, α-propyleneglycol |
| Substituent Name | Secondary alcohol, 1,2-diol, Hydrocarbon derivative, Primary alcohol, Aliphatic acyclic compound |
| Compound Name | Propylene Glycol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 76.0524 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 76.0524 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 76.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3338110000000001 |
| Inchi | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 |
| Smiles | CC(CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all