Methyl Benzoin

HCID 98097

Notes Reactions

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Basic information

CAS: 3524-62-7
Standard SMILES: COC(C(=O)c1ccccc1)c1ccccc1
InChIKey: BQZJOQXSCSZQPS-UHFFFAOYSA-N
Molecular formula: C15H14O2
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.09937969

Names & identifiers

Preferred name: Methyl Benzoin
IUPAC: 2-methoxy-1,2-diphenylethanone
English name: Benzoin methyl ether
Molecular formula: C15H14O2
Molecular weight: 226.27

Names & synonyms

Benzoin methyl ether3524-62-7Methyl benzoin2-Methoxy-1,2-diphenylethanoneO-MethylbenzoinBenzoin methyl ester2-Methoxy-2-phenylacetophenoneNisso Cure MBOEthanone, 2-methoxy-1,2-diphenyl-Acetophenone, 2-methoxy-2-phenyl-alpha-MethoxydeoxybenzoinQCU 3

Show more names

qcu3nissocurembomethylbenzoinBenzoinemethyletherMethyl benzoin etherBenzoinbismethylether

NSC 76550alpha-Methoxybenzyl phenyl ketoneXIF870BGWWNSC76550EINECS 222-538-7BRN 2052112AI3-10591NSC-76550

Database identifiers

CAS: 3524-62-7
PubChem CID: 98097
DTXSID: DTXSID60871031
UNII: XIF870BGWW
EC Number: 222-538-7
Nikkaji: J55.034E

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 237

Experimental & physicochemical properties

LogP1.38

Physicochemical properties

Melting point: 47.5 · 47.5-48.5 °C (lit.)
Boiling point: 188 · 188-189 °C (15 mmHg)
Density: 1.128 · 1.128
refractive index: 1.653 · 1.6530 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in methanol.
form: powder
color: White to Almost white
Merck: 14 · 14,1093
BRN: 2052112 · 2052112
InChI: 1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKey: BQZJOQXSCSZQPS-UHFFFAOYSA-N
SMILES: COC(C(=O)c1ccccc1)c2ccccc2
CAS DataBase Reference: 3524 · 3524-62-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 870 BGWW · XIF870BGWW
EPA Substance Registry System: 2 · Ethanone, 2-methoxy-1,2-diphenyl- (3524-62-7)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 22 · 22-24/25
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 9350000 · AM9350000
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
HS Code: 29145000 · 29145000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral
Toxicity: 50 oral · LD50 oral in mouse: 300mg/kg
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: AM9350000
ridadr: UN 2811 6.1/PG 3
hs_code: 29145000
Toxicity: LD50 oral in mouse: 300mg/kg
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn
safety_code: 22-24/25
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 2-methoxy-1,2-diphenyl-: ACTIVE

Applications

UsesBenzoin methyl ether is used in UV curing inks, wood coatings, paper coatings, optical fiber, PCB, screen printing , paper varnish and other surface coatings. It is used for anticratering in powder coatings.