| Identification | More | [Name]
3-Phenoxybenzyl alcohol | [CAS]
13826-35-2 | [Synonyms]
3-(HYDROXYMETHYL)DIPHENYL ETHER
3-PHENOXYBENZYL ALCOHOL
M-PHENOXYBENZYL ALCOHOL
RARECHEM AL BD 0058
(3-Phenoxyphenyl)methanol
3-phenoxy-benzenemethano
3-Phenoxybenzenemethanol
3-phenoxybenzyl
benzenemethanol,3-phenoxy-,
Benzyl alcohol, m-phenoxy-
m-phenoxy-benzylalcoho
3-PBA
3-phenoxybenzylic alcohol
m-Phenoxy Benzalcohol 3-Phenoxy Benzalcohol
Phenoxybenzyl alcohol
3-PhenoxyBenzalcohol
m-Phenoxy Benzalcohol
HYDROXYMETHYLDIPHENYL
3-PHENOXYBENZYL ALCOHOL 97+%
M-PHENOXYBENZOLDEHYDE | [EINECS(EC#)]
237-525-1 | [Molecular Formula]
C13H12O2 | [MDL Number]
MFCD00004636 | [Molecular Weight]
200.23 | [MOL File]
13826-35-2.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
4-7°C | [Boiling point ]
135-140 °C/0.1 mmHg (lit.) | [density ]
1.149 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.1 mm Hg ( 37.7 °C)
| [refractive index ]
n20/D 1.591(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid or Liquid | [pka]
14.19±0.10(Predicted) | [color ]
White or clear colorless | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents. | [Water Solubility ]
Insoluble | [BRN ]
475312 | [InChI]
1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2 | [InChIKey]
KGANAERDZBAECK-UHFFFAOYSA-N | [SMILES]
OCc1cccc(Oc2ccccc2)c1 | [LogP]
2.797 at 25℃ | [CAS DataBase Reference]
13826-35-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenemethanol, 3-phenoxy-(13826-35-2) | [EPA Substance Registry System]
13826-35-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P301+P312+P330 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN 3082 9 / PGIII | [WGK Germany ]
3
| [RTECS ]
DP0775400
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29062990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral | [Toxicity]
mouse,LD50,intraperitoneal,575mg/kg (575mg/kg),Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 9, 1977. |
| Hazard Information | Back Directory | [Chemical Properties]
colourless liquid | [Uses]
3-Phenoxybenzyl alcohol has been used in the synthesis of 3-phenoxylbenzyl β-D-glucuronide. | [Definition]
ChEBI: A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin. | [Flammability and Explosibility]
Nonflammable | [Synthesis]
M-phenoxybenzaldehyde (5 g, 25.22 mmol) was dissolved in anhydrous methanol (60 mL), cooled to 0 °C, and sodium borohydride (1.14 g, 30.26 mmol) was added in batches. The reaction mixture was stirred at room temperature for 1.5 hours and then concentrated under reduced pressure. The resulting residue was quenched with saturated aqueous ammonium chloride solution (50 mL) and extracted with ethyl acetate (3 x 50 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3-phenoxybenzyl alcohol (5 g, 99% yield). The product was analyzed by LCMS showing [M+H]+ m/z 183.0, retention time 5.4 min, and purity 93.1% (area normalization method). | [References]
[1] Patent: WO2015/130905, 2015, A1. Location in patent: Paragraph 00209
[2] Tetrahedron Letters, 2015, vol. 56, # 46, p. 6460 - 6462
[3] Journal of Organic Chemistry, 2004, vol. 69, # 5, p. 1492 - 1496
[4] Patent: WO2018/42461, 2018, A1. Location in patent: Page/Page column 7; 8
[5] Patent: US4366325, 1982, A |
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