UCSF

ZINC01867144

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 6 Yes

Popular Name: (S)-(+)-1,3-BUTANEDIOL (S)-(+)-1,3-BUTANEDIOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107-88-0 , 1117-31-3 , 19485-03-1 , 24621-61-2 , 6290-03-5

Other Names:

(+/-)-1,3-Butanediol

(+/-)-1,3-Butanediol, 99%

(+/-)-1,3-Butanediol;(.+/-.)-1,3-Butanediol;(R)-(-)-Butane-1,3-diol;(R)-1,3-Butanediol;(RS)-1,3-Butandiol;(S)-(+)-1,3-Butanediol;(S)-(+)-Butane-1,3-diol;(S)-1,3-Butanediol;1,3 Butylene glycol;1,3-Butandiol;1,3-Butanodiol;1,3-Butylene glycol;1,3-Butylengly

(+/-)-1,3-Butylene glycol

(±)-1,3-Butanediol, 99%, extra pure

(±)-1,3-Butanediol, 99%, pure

(R)-(-)-1,3-BUTANEDIOL

(R)-(-)-1,3-ButyleneGlycol

(R)-(-)-butane-1,3-diol

(RS)-1,3-Butandiol; 1,3 Butylene glycol; 1,3-Butandiol; 1,3-Butanediol; 1,3-Butylene glycol; 1,3-Butylenglykol; 1,3-Dihydroxybutane; 1-Methyl-1,3-propanediol; Butane-1,3-diol; Methyltrimethylene glycol; beta-Butylene glycol

(RS)-1,3-Butandiol; 1,3 Butylene glycol; 1,3-Dihydroxybutane; 1,3-butanediol; 1-Methyl-1,3-propanediol; 107-88-0; CPD-12276; Methyltrimethylene glycol; beta-Butylene glycol; butane-1,3-diol

(RS)-1,3-Butandiol; 1,3-Butandiol [German]; 1,3-Butanediol; 1,3-Butylenglykol [German]; 1,3-Dihydroxybutane; 1,3-butylene glycol; 1-Methyl-1,3-propanediol; AI3-11077; BD; BRN 1731276; Butane-1,3-diol; Butylene glycol; Caswell No. 128GG; EINECS 203-529-7

(S)-(+)-1,3-Butanediol, 98%

(S)-(+)-Butane-1,3-diol

(S)-Butane-1,3-diol

(^+)-1,3-Butylene glycol

(¡À)-1,3-Butanediol

(±)-1,3-Butylene glycol

1,3-Butanediol

1,3-BUTANEDIOL DIACETATE

1,3-Butanediol diacrylate

1,3-Butanediol [for Biochemical Research]

1,3-Butanediol; 1,3-Butylene glycol; 107-88-0; C20335

1,3-BUTANEDIOLDIACETATE

1,3-Butanedioldiacrylate

1,3-butylene glycol

719

butane-1,3-diol

MFCD00004554

MFCD00064278

OR-2673

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) -0.32 -2.94 -3.63 2 2 0 40 90.122 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 50? Alfa-Aesar
Melting_Point 50° Alfa-Aesar
Mp [°C] 54 Acros Organics
Molecular_Solubility 0.155 Bitter DB
BP [°C] 109 (p=14 torr) Acros Organics
BP 109 / 14 TCI
BP 109° Oakwood Chemical
BP [°C] 203 - 204 Acros Organics
Boiling_Point 203-204? Alfa-Aesar
Boiling_Point 203-204° Alfa-Aesar
BP 207 TCI
ALOGPS_SOLUBILITY 7.42e+02 g/l DrugBank-experimental
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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