1-Naphthalenemethanol CAS NO.4780-79-4

1. Introduction of1-Naphthalenemethanol

The 1-Naphthalenemethanol, with its CAS NO4780-79-4, is a…

1. Introduction of 1-Naphthalenemethanol

 

The 1-Naphthalenemethanol, with its CAS NO 4780-79-4, is a kind of white or light yellow liquid. It has synonyms of 1-(Hydroxymethyl)naphthalene;1-Naphthylcarbinol;1-Naphthylmethanol;1-Naphthylmethylalcohol;1-Napthalenemethanol;NSC 5315;Naphthalen-1-ylmethanol;a-Naphthylcarbinol and a-Naphthylmethanol. 1-Naphthalenemethanol should be stored in shady and cool warehouse.

 

2. Properties of 1-Naphthalenemethanol

 

(1) XLogP3 2.4  (2) H-Bond Donor 1 (3) H-Bond Acceptor 1
(4) Rotatable Bond Count 1  (5) Exact Mass 158.073165 (6) MonoIsotopic Mass 158.073165
(7) Topological Polar Surface Area 20.2 (8) Heavy Atom Count 12 (9) Complexity 144 
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D Acceptor Count 1 (12) Feature 3D Donor Count 1
(13) Feature 3D Ring Count 2  (14) Effective Rotor Count 1 (15) Conformer Sampling RMSD 0.4
(16) CID Conformer Count 3

 

3. Structure descriptors of 1-Naphthalenemethanol

 

IUPAC Name: naphthalen-1-ylmethanol

InChI: InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2

InChIKey: PBLNHHSDYFYZNC-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C2C(=C1)C=CC=C2CO
 

4. Toxicity data of 1-Naphthalenemethanol

 

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	skin	> 5gm/kg (5000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA	Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 2583, 1990