1-acetoxy-2-methylnaphthalene 5697-02-9

1-acetoxy-2-methylnaphthalene

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IUPAC name :

(2-methylnaphthalen-1-yl) acetate

InChI :

InChI=1/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3

InChIKey :

WVOAPRDRMLHUMI-UHFFFAOYAG

SMILES :

CC1=C(C2=CC=CC=C2C=C1)OC(=O)C

cas number :	5697-02-9
molar refractivity :	60.26 ± 0.3 cm3
parachor :	450.2 ± 4.0 cm3
index of refraction :	1.594 ± 0.02
surface tension :	41.4 ± 3.0 dyne/cm
density :	1.128 ± 0.06 g/cm3
polarizability :	23.88 ± 0.5 10-24cm3
XlogP :	3.30
XlogP3-AA :	3.30
molecular weight :	200.2331800 (IUPAC)
formula :	C13 H12 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

properties :

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

319.00 to 321.00 °C. @ 760.00 mm Hg

flash point :

234.00 °F. TCC ( 112.22 °C. )

logP (o/w) :

3.25

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

safety references :

(2-methylnaphthalen-1-yl) acetate

chemidplus :

5697-02-9

EPA Substance Registry Services :

5697-02-9

references :

(2-methylnaphthalen-1-yl) acetate

pubchem :

42822657

Cosmetics :

Cosmetic uses :

hair dyeing agents

other :

CosIng :

cosmetic data

synonyms :
1-	acetoxy-2-methyl naphthalene
(2-	methyl-1-naphthyl) acetate
(2-	methylnaphthalen-1-yl) acetate
stability :
potential uses :
	hair dyeing agents
natural occurrence in :
	not found in nature

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