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| CAS No.: | 2026-08-6 |
|---|---|
| Name: | 1,8-BIS(HYDROXYMETHYL)NAPHTHALENE |
| Molecular Structure: | |
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| Formula: | C12H12O2 |
| Molecular Weight: | 188.226 |
| Synonyms: | 1,8-Bis(hydroxymethyl)naphthalene;1,8-Dihydroxymethylnaphthalene; |
| Density: | 1.244 g/cm3 |
| Melting Point: | 153-156 °C(lit.) |
| Boiling Point: | 411.1 °C at 760 mmHg |
| Flash Point: | 207.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 40.46000 |
| LogP: | 1.82440 |
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Specification
The 1,8-Naphthalenedimethanol is an organic compound with the formula C12H12O2. The IUPAC name of this chemical is [8-(Hydroxymethyl)naphthalen-1-yl]methanol. With the CAS registry number 2026-08-6, it is also named as 1,8-Bis(hydroxymethyl)naphthalene. The product's categories are Organic Building Blocks; Oxygen Compounds; Polyols. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about 1,8-Naphthalenedimethanol are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 3.91; (5)ACD/BCF (pH 7.4): 3.91; (6)ACD/KOC (pH 5.5): 92.34; (7)ACD/KOC (pH 7.4): 92.34; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 56.99 cm3; (14)Molar Volume: 151.1 cm3; (15)Polarizability: 22.59×10-24 cm3; (16)Surface Tension: 58.5 dyne/cm; (17)Density: 1.244 g/cm3; (18)Flash Point: 207.3 °C; (19)Enthalpy of Vaporization: 69.96 kJ/mol; (20)Boiling Point: 411.1 °C at 760 mmHg; (21)Vapour Pressure: 1.7E-07 mmHg at 25 °C.
Preparation: this chemical can be prepared by Naphthalene-1,8-dicarboxylic acid anhydride. This reaction is a kind of reduction.This reaction will need reagent LiAlH4 and solvent tetrahydrofuran. The reaction time is 16 hours with reaction temperature of 20 °C. The yield is about 55%.
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Uses of 1,8-Naphthalenedimethanol: it can be used to produce 1,8-Bis-chloromethyl-naphthalene. It will need reagents conc. sulphuric acid; conc. hydrochloric acid with reaction time of 12 hours. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H12O2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6,13-14H,7-8H2
(2)InChIKey: DINZUYYYXDLSJE-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C12H12O2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6,13-14H,7-8H2
(4)Std. InChIKey: DINZUYYYXDLSJE-UHFFFAOYSA-N