para-cresyl butyrate 14617-92-6

para-cresyl butyrate

Suppliers organoleptics properties safety references FEMA Index Home Page

Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.

IUPAC name :

(4-methylphenyl) butanoate

InChI :

InChI=1/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey :

RRXBRABFDRJAPX-UHFFFAOYAT

SMILES :

CCCC(=O)OC1=CC=C(C=C1)C

cas number :	14617-92-6
(EINECS) number :	238-654-6
molar refractivity :	51.68 ± 0.3 cm3
parachor :	426.0 ± 4.0 cm3
index of refraction :	1.497 ± 0.02
surface tension :	34.0 ± 3.0 dyne/cm
density :	1.010 ± 0.06 g/cm3
polarizability :	20.48 ± 0.5 10-24cm3
XlogP :	3.10
XlogP3 :	2.90
molecular weight :	178.2276600 (IUPAC)
formula :	C11 H14 O2
NMR Predictor :	Predict

export tariff code :

2915.60.0000

fda reg :

unspecified

Suppliers :

Inoue :

P-CRESYL BUTYRATE

organoleptics :

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

249.00 to 250.00 °C. @ 760.00 mm Hg

flash point :

203.00 °F. TCC ( 95.00 °C. )

logP (o/w) :

3.08

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

flavor and fragrance agents

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

(4-methylphenyl) butanoate

(EINECS) number :

238-654-6

chemidplus :

014617926

EPA Substance Registry Services :

14617-92-6

dtp/nci :

53053

references :

(4-methylphenyl) butanoate

pubchem :

661445

other :

synonyms :
	butanoic acid 4-methyl phenyl ester
(4-	methylphenyl) butanoate
para-	tolyl butyrate
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in : note
	not found in nature

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home