1,3-Bis(2-methoxyphenoxy)-2-propanol

HCID 97669

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Basic information

CAS: 16929-60-5
Standard SMILES: COc1ccccc1OCC(O)COc1ccccc1OC
InChIKey: SSNCGCIXFDVLFP-UHFFFAOYSA-N
Molecular formula: C17H20O5
Average molar mass: 304.34 g/mol
Monoisotopic mass: 304.13107373

Names & identifiers

Preferred name: 1,3-Bis(2-methoxyphenoxy)-2-propanol
IUPAC: 1,3-bis(2-methoxyphenoxy)propan-2-ol
English name: 1,3-Bis(2-methoxyphenoxy)-2-propanol
Molecular formula: C17H20O5
Molecular weight: 304.34

Names & synonyms

16929-60-51,3-Bis(2-methoxyphenoxy)-2-propanol2-Propanol, 1,3-bis(o-methoxyphenoxy)-9W2WA37VTBNSC-142122DTXSID90168688GUAIFENESIN IMPURITY D [EP IMPURITY]GUAIFENESIN IMPURITY D (EP IMPURITY)RefChem:72498DTXCID7091179642-037-01,3-bis(2-methoxyphenoxy)propan-2-ol

Show more names

Guaifenesin Impurity 4Guaicol Impurity DEPO Dimer impurityGuaiacol Impurity DGUAIFENSIN IMPURITY-DAntileishmanial agent-32Guaifenesin EP Impurity4

Guaifenesin EP Impurity D1,3-Bis(o-methoxyphenoxy)-2-propanol2-Propanol, 1,3-bis(2-methoxyphenoxy)-NSC 142122MFCD01697245Guaifenesin Impurity DBRN 2003232Dianisylglycerol

Database identifiers

CAS: 16929-60-5
PubChem CID: 97669
DTXSID: DTXSID90168688
UNII: 9W2WA37VTB
EC Number: 642-037-0

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 57.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 271

Physicochemical properties

Melting point: 73 · 73-74.2℃ (ethyl ether )
Boiling point: 165 · 165-225 °C(Press: 9 Torr)
Density: 1.167 · 1.167±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: 13.38 · 13.38±0.20(Predicted)
form: Solid
color: White to Off-White
BRN: 2003232 · 2003232
Stability: Hygroscopic
Major Application: pharmaceutical
InChI: 1S/C17H20O5/c1-19-14-7-3-5-9-16(14)21-11-13(18)12-22-17-10-6-4-8-15(17)20-2/h3-10,13,18H,11-12H2,1-2H3
InChIKey: SSNCGCIXFDVLFP-UHFFFAOYSA-N
SMILES: OC(COC1=C(OC)C=CC=C1)COC2=CC=CC=C2OC
FDA UNII: 9 W2WA37VTB · 9W2WA37VTB

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Safety data

wgk: 3
rtecs: UA7374000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1,3-Bis(2-methoxyphenoxy)-2-propanol is an impurity of Atenolol (A790075), a cardioselective β-adrenergic blocker. 1,3-Bis(2-methoxyphenoxy)-2-propanol is also used in various preparations of organic synthetic compounds.

Suppliers76 total

天津始加生物医药科技有限公司15022261580 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

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Compound notes

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