Phenol, aluminum salt (3:1)

HCID 167236

Notes Reactions

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Basic information

CAS: 15086-27-8
Standard SMILES: [Al+3].[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1
InChIKey: OPSWAWSNPREEFQ-UHFFFAOYSA-K
Molecular formula: C18H15AlO3
Average molar mass: 306.3 g/mol
Monoisotopic mass: 306.08365797

Names & identifiers

Preferred name: Phenol, aluminum salt (3:1)
IUPAC: aluminum triphenoxide
English name: Aluminum phenoxide
Molecular formula: C6H9AlO
Molecular weight: 124.12

Names & synonyms

Aluminum phenoxideAluminium triphenolate15086-27-8Phenol, aluminum saltPhenol, aluminum salt (3:1)EINECS 239-137-8DTXSID401015343RefChem:861306DTXCID201473648239-137-8aluminum;triphenoxidealuminium phenoxide

Show more names

TriphenoxyaluminumAluminum triphenolateAluminum Phenoxide 95%Aluminium triphenoxideALUMINUM PHENOXIDE, 99.9+%

aluminum triphenoxidealuminum phenolateAluminium trisphenoxideSCHEMBL104249NS00084735

Database identifiers

CAS: 15086-27-8
PubChem CID: 167236
DTXSID: DTXSID401015343
EC Number: 239-137-8
Nikkaji: J641F

Properties

Computed structural properties

Topological polar surface area: 69.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 46.1

Physicochemical properties

Melting point: 156 °C · 156 °C (dec.) (lit.)
Density: 1 · 1,23 g/cm3
form: solid
InChI: 1S/3C6H6O.Al/c3*7-6-4-2-1-3-5-6;/h3*1-5,7H;/q;;;+3/p-3
InChIKey: OPSWAWSNPREEFQ-UHFFFAOYSA-K
SMILES: O([Al](Oc1ccccc1)Oc2ccccc2)c3ccccc3
EPA Substance Registry System: Phenol, aluminum salt (15086-27-8)
UNSPSC Code: 12352300 · 12352300
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310