UCSF

ZINC00895316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 5 Yes

Popular Name: (S)-(+)-1,2-Propanediol (S)-(+)-1,2-Propanediol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1331-12-0 , 4254-14-2 , 4254-15-3 , 51260-39-0 , 53818-14-7 , 57-55-6 , 57-56-6 , 623-84-7

Other Names:

"Propylene glycol, 99.8%"

(+-)-1,2-Propanediol; (+-)-Propylene glycol; (RS)-1,2-Propanediol; (S)-(+)-1,2-Propanediol; .alpha.-Propylene glycol; 1,2-(RS)-Propanediol; 1,2-Dihydroxypropane; 1,2-Propanediol (8CI,9CI); 1,2-Propylene glycol; 1,2-Propylenglykol [German]; 1,2-propane-dio

(+-)-1,2-Propanediol; (+-)-Propylene glycol; (RS)-1,2-Propanediol; 1,2-Dihydroxypropane; 1,2-Propanediol; 1,2-Propylene glycol; 1,2-Propylenglykol [German]; 2,3-Propanediol; 2-Hydroxypropanol; AI3-01898; BRN 1340498; CCRIS 5929; Caswell No. 713; DL-1,2-Pr

(+/-)-Propylene glycol

(2S)-propane-1,2-diol

(2S)-propane-1,2-diol;(S)-1,2-propanediol;(S)-propylene glycol

(R)-(-)-1,2-Dihydroxypropane

(R)-(-)-1,2-Propanediol

(RS)-1,2-Propanediol; 1,2-(RS)-Propanediol; 1,2-Dihydroxypropane; 1,2-Propanediol; 1,2-Propylene glycol; 1,2-Propylenglykol; 2,3-Propanediol; 2-Hydroxypropanol; a-Propylene glycol; Aliphatic alcohol; alpha-Propylene glycol; Chilisa FE; DL-1,2-Propanediol

(RS)-1,2-Propanediol; 1,2-(RS)-Propanediol; 1,2-Dihydroxypropane; 1,2-Propanediol; 1,2-Propylene glycol; 1,2-Propylenglykol; 2,3-Propanediol; 2-Hydroxypropanol; Aliphatic alcohol; Chilisa FE; DL-1,2-Propanediol; Dl-Propylene glycol; Dowfrost; Glycol; Ilex

(RS)-1,2-Propanediol;1,2-(RS)-Propanediol;1,2-Dihydroxypropane;1,2-Propanediol;1,2-Propylene glycol;1,2-Propylenglykol;2,3-Propanediol;2-Hydroxypropanol;a-Propylene glycol;Aliphatic alcohol;alpha-Propylene glycol;Chilisa FE;DL-1,2-Propanediol;Dl-Propylene

(RS)-1,2-Propanediol;1,2-(RS)-Propanediol;1,2-Dihydroxypropane;1,2-Propanediol;1,2-Propylene glycol;1,2-Propylenglykol;2,3-Propanediol;2-Hydroxypropanol;Aliphatic alcohol;Chilisa FE;DL-1,2-Propanediol;Dl-Propylene glycol;Dowfrost;Glycol;Ilexan P;Inhibited

(S)-(+)-1,2-Propanediol, 97%

(S)-(+)-Propanediol

(S)-(+)-Propylene glycol

(S)-1,2-Propanediol carbonate

(S)-1,2-Propanediol; (S)-Propane-1,2-diol; (S)-Propylene glycol; C02917

(S)-Propane-1,2-diol

(S)-propane-1,2-diol; 1,2-dihydroxypropane; 1,2-propane-diol; 1,2-propanediol; 57-55-6; L-1,2-propanediol; PROPANE-1-2-DIOL; propane-1,2-diol; propanediol; propylene glycol

(^+)-Propylene glycol

(±)-Propylene glycol

Propylene glycol; (9Z)-Octadecenoic acid; (RS)-1,2-Propanediol; (Z)-Octadec-9-enoic acid; α 1,2-(RS)-Propanediol; 1,2-Dihydroxypropane; 1,2-Propandiol; 1,2-Propanediol; 1,2-propanediol (propylene glycol); 1,2-Propylene glycol; 1,2-Propylenglykol; 1

1,2-Dihydroxypropane

1,2-Propanediol

1,2-Propanediol, 98+%

1,2-Propanediol, 99%, extra pure

1,2-Propanediol, 99+%, for analysis

1,2-Propanediol, ACS

1,2-Propanediol, ACS reagent

1,2-Propanediol, ACS, 99.5%

1,2-Propanediol; 57-55-6; C00583; Propane-1,2-diol; Propylene glycol

1,2-Propyleneglycol

1,2-propyleneglycoldiformate

1,2-Propylenglykol; 1,2-dihydroxypropane; 2-hydroxypropanol; CH3CH(OH)CH2OH; HOCH2CH(OH)CH3; HOCH2CH(OH)Me; MeCH(OH)CH2OH; PPD; alpha-propyleneglycol; isopropylene glycol; methyl glycol; methylethyl glycol; methylethylene glycol; monopropylene glycol; pro

57-55-6; D00078; Propylene glycol (JP16/USP); Propylene glycol (TN)

CHEBI:45065; CHEBI:18799; CHEBI:440

CHEBI:8469; CHEBI:14899

MFCD00004539

MFCD00064272

NA

OR-0816

Propane-1,2-diol

Propylene glycol

Propylene Glycol (JAN

Propylene glycol diacetate

propyleneglycolmonoacetate

S-1,2-Propanediol

USP); Propylene Glycol Cefatrizine (JAN)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.59 -3.42 -5.18 2 2 0 40 76.095 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 59 Acros Organics
Mp [°C] 60 Acros Organics
Melting_Point 60? Alfa-Aesar
Melting_Point 60° Alfa-Aesar
BP [°C] 186 - 188 (p=765 torr) Acros Organics
Boiling_Point 186-188? Alfa-Aesar
Boiling_Point 186-188° Alfa-Aesar
BP [°C] 187 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
ALOGPS_SOLUBILITY 9.52e+02 g/l DrugBank-experimental
BP 92 / 15 TCI
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links ADHN_RHOER; AGO2_HUMAN; DUR3_ARATH; GLDA_CITFR; GLDA_ECOLI; PDUC_SALTY; PDUD_SALTY; PDUE_SALTY; PDUL_ALKMQ; PDUL_BACMD; PDUL_CITK8; PDUL_CITRI; PDUL_CLOD6; PDUL_CLONN; PDUL_CLOPH; PDUL_ENTFA; PDUL_ESCF3; PDUL_KLEP7; PDUL_LACBA; PDUL_LACRD; PDUL_LEPBD; PDU ChEBI
Patent Database Links EP0789023; EP0815857; EP0856515; EP0964029; EP1004304; EP1104765; EP1147764; EP1153613; EP1225172; EP1310496; EP1393800; EP1457491; EP1475375; EP1579768; EP1586553; EP1625856; EP1634572; EP1669345; EP1695711; EP1754516; EP1787660; EP1852415; EP1870415; GB ChEBI
UniProt Database Links FUCO_ECO57; FUCO_ECOLI; GLDA_CITFR; GLDA_ECOLI; PDUC_SALTY; PDUD_SALTY; PDUE_SALTY; PDUL_ALKMQ; PDUL_BACMD; PDUL_CITK8; PDUL_CITRI; PDUL_CLOD6; PDUL_CLONN; PDUL_CLOPH; PDUL_ENTFA; PDUL_ESCF3; PDUL_KLEP7; PDUL_LACBA; PDUL_LACRD; PDUL_LEPBD; PDUL_LISMO; PDU ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2002119909; US2008287529 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.