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CAS No.: | 4780-79-4 |
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Name: | 1-Naphthalenemethanol |
Article Data: | 127 |
Molecular Structure: | |
Formula: | C11H10O |
Molecular Weight: | 158.2 |
Synonyms: | 1-(Hydroxymethyl)naphthalene;1-Naphthylcarbinol;1-Naphthylmethanol;1-Naphthylmethylalcohol;1-Napthalenemethanol;NSC 5315;Naphthalen-1-ylmethanol;a-Naphthylcarbinol;a-Naphthylmethanol; |
EINECS: | 225-324-1 |
Density: | 1.151 g/cm3 |
Melting Point: | 61-63 °C(lit.) |
Boiling Point: | 303.6 °C at 760 mmHg |
Flash Point: | 154 °C |
Appearance: | yellowish fine crystalline powder |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 2.33210 |
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The 1-Naphthalenemethanol, with the CAS registry number 4780-79-4, is also known as 1-Menaphthyl alcohol. It belongs to the product categories of Aromatic Compounds; Naphthalene Derivatives; Alcohols; C9 to C30; Oxygen Compounds. Its EINECS registry number is 225-324-1. This chemical's molecular formula is C11H10O and molecular weight is 158.1965. Its IUPAC name is called naphthalen-1-ylmethanol. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. What's more, the product should be sealed and stored in dry and well-ventilated place.
Physical properties of 1-Naphthalenemethanol: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.02; (5)ACD/BCF (pH 7.4): 31.02; (6)ACD/KOC (pH 5.5): 406.74; (7)ACD/KOC (pH 7.4): 406.74; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.657; (12)Molar Refractivity: 50.54 cm3; (13)Molar Volume: 137.3 cm3; (14)Surface Tension: 49.6 dyne/cm; (15)Density: 1.151 g/cm3; (16)Flash Point: 154 °C; (17)Enthalpy of Vaporization: 57.44 kJ/mol; (18)Boiling Point: 303.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000404 mmHg at 25°C.
Preparation of 1-Naphthalenemethanol: this chemical can be prepared by naphthalene-1-carboxylic acid. This reaction will need reagents LiAlH4 and diethyl ether.
Uses of 1-Naphthalenemethanol: it can be used to produce naphthalene-1-carbaldehyde at temperature of 60 °C. This reaction will need reagents (NH4)2S2O8, AgNO3, montmorillonite K10 and solvent hexane with reaction time of 2.5 hours. The yield is about 92%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2CO
(2)InChI: InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
(3)InChIKey: PBLNHHSDYFYZNC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | skin | > 5gm/kg (5000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 2583, 1990. |