3-(Allyloxy)-2,2-bis((allyloxy)methyl)propanol

HCID 73854

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Basic information

CAS: 1471-17-6
Standard SMILES: C=CCOCC(CO)(COCC=C)COCC=C
InChIKey: FYRWKWGEFZTOQI-UHFFFAOYSA-N
Molecular formula: C14H24O4
Average molar mass: 256.34 g/mol
Monoisotopic mass: 256.16745925

Names & identifiers

Preferred name: 3-(Allyloxy)-2,2-bis((allyloxy)methyl)propanol
IUPAC: 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
English name: PENTAERYTHRITOL TRIALLYL ETHER
Molecular formula: C14H24O4
Molecular weight: 256.34

Names & synonyms

PENTAERYTHRITOL TRIALLYL ETHERtriallyl pentaerythritol3-(Allyloxy)-2,2-bis((allyloxy)methyl)propanol1-Propanol, 3-(2-propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-1-Propanol, 3-(2-propenyloxy)-2,2-bis[(2-propenyloxy)methyl]-N1PKB14FG81-Propanol, 3-(2-propenyloxy)-2,2-bis((2-propenyloxy)methyl)-3-(Allyloxy)-2,2-bis[(allyloxy)methyl]propanol1-Propanol, 3-(2-propen-1-yloxy)-2,2-bis((2-propen-1-yloxy)methyl)-RefChem:493993216-008-41471-17-6

Show more names

PENTAERITHRITOLTRIALLYLETHERPentaerythrityl triallyl etherPentaerythritol Triallyl Ether,>75%Pentaerythritol triene Propyl ether1-(2-naphthalenyl)-N-phenylethanimine3-allyloxy-2,2-bis(allyloxymethyl)propan-1-ol

3-(Allyloxy)-2,2-bis((allyloxy)methyl)propan-1-olAI 3-09536EINECS 216-008-4MFCD00055654pentaerythritol triallyletherDSSTox_GSID_44580SCHEMBL212443-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol

Database identifiers

CAS: 1471-17-6
PubChem CID: 73854
DTXSID: DTXSID6044806
ChEMBL: CHEMBL3184942
UNII: N1PKB14FG8
EC Number: 216-008-4
Nikkaji: J96.997D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 47.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 13
Heavy atoms: 18
Formal charge: 0
Complexity: 202

Physicochemical properties

Boiling point: 156 · 156-161°C 3mm
Density: 0.985 · 0.9850
refractive index: 1.465 · 1.4650 (estimate)
storage temp.: 2 · 2-8°C
form: Liquid
pka: 14.35 · 14.35±0.10(Predicted)
InChI: InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2
InChIKey: FYRWKWGEFZTOQI-UHFFFAOYSA-N
SMILES: C(O)C(COCC=C)(COCC=C)COCC=C
FDA UNII: 1 PKB14FG8 · N1PKB14FG8
EPA Substance Registry System: Pentaerythritol triallyl ether (1471-17-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H412
Precautionary statements: 273 · P273-P305+P351+P338
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · 1993
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Propanol, 3-(2-propenyloxy)-2,2-bis[(2-propenyloxy)methyl]-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
ridadr: 1993
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 16-26-36/37/39
Hazard statements: H315-H319-H412
Precautionary statements: P273-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanol, 3-(2-propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-: ACTIVE

Applications

UsesTriallyl pentaerythritol (PEATA), a crosslinker, decreases the protein rejection compared to membranes functionalized with MBAA or without any crosslinker[1][2].