1,3-Diphenoxy-2-propanol

HCID 12140

Notes Reactions

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Basic information

CAS: 622-04-8
Standard SMILES: OC(COc1ccccc1)COc1ccccc1
InChIKey: NKCVHIPHZCIEFC-UHFFFAOYSA-N
Molecular formula: C15H16O3
Average molar mass: 244.28 g/mol
Monoisotopic mass: 244.10994437

Names & identifiers

Preferred name: 1,3-Diphenoxy-2-propanol
IUPAC: 1,3-diphenoxypropan-2-ol
English name: 1,3-Diphenoxy-2-propanol
Molecular formula: C15H16O3
Molecular weight: 244.29

Names & synonyms

1,3-Diphenoxy-2-propanol622-04-8Glycerol 1,3-diphenyl ether1,3-Difenoxy-2-propanol2-PROPANOL, 1,3-DIPHENOXY-NSC 68021,2,3-Propanetriol, 1,3-diphenyl dietherNSC 71510UNII-RTO1IF8E7ZRTO1IF8E7ZGlyceryl alpha,gamma-diphenyl etherEINECS 210-718-8

Show more names

1,3-diphenoxy-2-propano1,3-diphenoxypropan-2-ol1,3-Bisphenoxy-2-propanol1,3-bis(phenoxy)propan-2-olGlycerol α,γ-diphenyl ether1,3-Diphenoxy-2-propanol, 98+%

1,3-Diphenyl glyceryl etherBRN 1882894Glyceryl .alpha.,.gamma.-diphenyl ether1,3-Diphenoxy-2-hydroxypropaneAI3-08138NSC-6802NSC-71510Glyceryl 1,3-diphenyl ether

Database identifiers

CAS: 622-04-8
PubChem CID: 12140
DTXSID: DTXSID80211233
UNII: RTO1IF8E7Z
EC Number: 210-718-8
Nikkaji: J35.480E

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 80 · 80-82°C
Boiling point: 347.2 °C · 347.2°C (rough estimate)
Density: 1.179 · 1.1790
refractive index: 1.557 · 1.5570 (estimate)
pka: 13.55 · 13.55±0.20(Predicted)
CAS DataBase Reference: 622 · 622-04-8
FDA UNII: 1 IF8E7Z · RTO1IF8E7Z
Symbol(GHS): 6 · GHS06
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37
RTECS: 4100000 · UB4100000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.