| Identification | More | [Name]
1,3-Benzenedimethanol | [CAS]
626-18-6 | [Synonyms]
1,3-BENZENEDIMETHANOL
1,3-BIS(HYDROXYMETHYL)BENZENE
1,3-DIHYDROXYMETHYLBENZENE
ALPHA,ALPHA'-DIHYDROXY-M-XYLENE
M-XYLENE-A,A'-DIOL
M-XYLENE-ALPHA',ALPHA-DIOL
M-XYLENE-ALPHA,ALPHA'-DIOL
M-XYLYLENE GLYCOL
RARECHEM AL BD 0071
1,3-Bis(hydroxymethyl)benzene~m-Xylene-alpha,alpha-diol
1,3-BENZENEDIMETHANOL 98%
1,3-Benzenedimethanol,98%
m-xylene-à,à'-diol
m-xylene-α,α'-diol
1,3-BENZENEDIMETHANOL/1,3-BIS(HYDROXYMETHYL)BENZENE
m-Xylene glycol
1,3-Phenylenebismethanol
Isophthalyl alcohol | [EINECS(EC#)]
210-934-2 | [Molecular Formula]
C8H10O2 | [MDL Number]
MFCD00004649 | [Molecular Weight]
138.16 | [MOL File]
626-18-6.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE CRYSTALLINE POWDER AND CHUNKS | [Melting point ]
56-60 °C (lit.) | [Boiling point ]
154-159 °C/13 mmHg (lit.) | [density ]
1.1610 | [refractive index ]
1.5090 (estimate) | [Fp ]
154-159°C/13mm | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solution, may develop some turbidity precipitate | [pka]
13.98±0.10(Predicted) | [color ]
Clear to hazy colorless to yellow | [Water Solubility ]
Soluble in water. | [BRN ]
1562398 | [InChI]
1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2 | [InChIKey]
YWMLORGQOFONNT-UHFFFAOYSA-N | [SMILES]
OCc1cccc(CO)c1 | [CAS DataBase Reference]
626-18-6(CAS DataBase Reference) | [EPA Substance Registry System]
626-18-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed . | [Safety Statements ]
S9:Keep container in a well-ventilated place .
S7:Keep container tightly closed .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29062900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE CRYSTALLINE POWDER AND CHUNKS | [Uses]
1,3-Benzenedimethanol was used in the synthesis of a series of cross-linked poly(orthocarbonate)s. It was also used in the synthesis of mixed-tethered system, required for the preparation of e-edge-[60]fullerenylmethanodihydropyrrole adduct. | [Uses]
1,3-Benzenedimethanol was used in the synthesis of a series of cross-linked poly(orthocarbonate)s. It was also used in the synthesis of mixed- tethered system, required for the preparation of e-edge-[60]fullerenylmethanodihydropyrrole adduct. | [Synthesis]
The general procedure for the synthesis of 1,3-benzenedimethanol from isophthalaldehyde was as follows: in a 25 mL round bottom flask equipped with a magnetic stirrer, an ethanol solution (5 mL) of isophthalaldehyde (1 mmol) was added. Subsequently, P(BVP)BH4 (100 mg) was added to the reaction system and the reaction was stirred at room temperature. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was filtered and washed sequentially with 1.0 M hydrochloric acid (2 × 10 mL) and ethanol (25 mL) to remove unreacted reagents. The filtrates were combined and concentrated under reduced pressure to give pure 1,3-benzenedimethanol in moderate to very high yields. For the few cases where the reaction is incomplete, the crude product needs to be purified by silica gel column chromatography using an appropriate eluent (see Scheme 1). | [References]
[1] Chemistry - A European Journal, 2013, vol. 19, # 24, p. 7701 - 7707
[2] Journal of Organic Chemistry, 2018, vol. 83, # 4, p. 2274 - 2281
[3] Comptes Rendus Chimie, 2013, vol. 16, # 8, p. 721 - 727
[4] Comptes Rendus Chimie, 2014, vol. 17, # 1, p. 23 - 29
[5] Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry, 2003, vol. 42, # 4, p. 744 - 750 |
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