dimethyl benzyl carbinyl propionate 67785-77-7

dimethyl benzyl carbinyl propionate

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IUPAC name :

(2-methyl-1-phenylpropan-2-yl) propanoate

InChI :

InChI=1/C13H18O2/c1-4-12(14)15-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3

InChIKey :

BLKIYRRGHOQSPP-UHFFFAOYAK

SMILES :

CCC(=O)OC(C)(C)CC1=CC=CC=C1

cas number :	67785-77-7
(EINECS) number :	267-072-5
molar refractivity :	60.70 ± 0.3 cm3
parachor :	502.6 ± 4.0 cm3
index of refraction :	1.494 ± 0.02
surface tension :	33.8 ± 3.0 dyne/cm
density :	0.990 ± 0.06 g/cm3
polarizability :	24.06 ± 0.5 10-24cm3
XlogP :	3.20
molecular weight :	206.2808200 (IUPAC)
formula :	C13 H18 O2
NMR Predictor :	Predict

export tariff code :

2915.50.3000

fda reg :

unspecified

Suppliers :

Apple :

DMBCP,Dimethyl benzyl carbinyl propionate

Berje :

Dimethyl Benzyl Carbinyl Proprionate

Fleurchem :

benzyl dimethyl carbinyl propionate

Penta :

dimethyl benzyl carbinyl propionate

Vigon :

Dimethyl Benzyl Carbinyl Propionate
Odor: SWEET, FLORAL, FRUITY

organoleptics :

odor type :

floral

odor strength :

medium

odor description :¹
at 100.00 %.

sweet jasmin hairy tea natural

odor sample from :

International Flavors & Fragrances Inc.

substantivity :

100 Hour(s)

properties :

appearence :

colorless clear liquid

assay :

96.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.98000 to 0.98800 @ 25.00 °C.

pounds per gallon - calc. :

8.155 to 8.221

specific gravity :

0.98100 to 0.98900 @ 20.00 °C.

pounds per gallon - calc. :

8.172 to 8.239

refractive index :

1.48700 to 1.49200 @ 20.00 °C.

boiling point :

275.00 to 276.00 °C. @ 760.00 mm Hg

flash point :

> 212.00 °F. TCC ( > 100.00 °C. )

logP (o/w) :

3.53

shelf life :

24.00 month(s) or longer if stored properly.

storage :

store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :

most important hazard(s) :

Xi - Irritant

R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.

Oral Toxicity(LD50) :

Oral-Rat >5.00 gm/kg

Dermal Toxicity(LD50) :

Skin-Rabbit >5.00 gm/kg

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for dimethyl benzyl carbinyl propionate usage levels up to :

3.0000 % in the fragrance concentrate.

recommendation for dimethyl benzyl carbinyl propionate usage levels up to :

not for flavor use.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

(2-methyl-1-phenylpropan-2-yl) propanoate

(EINECS) number :

267-072-5

chemidplus :

067785777

EPA Substance Registry Services :

67785-77-7

references :

(2-methyl-1-phenylpropan-2-yl) propanoate

pubchem :

683033

Cosmetics :

Cosmetic uses :

perfuming agents

other :

reference :

Luebke, William tgsc, (1993)¹

CosIng :

cosmetic data

synonyms :
	benzyl dimethyl carbinyl propionate
	benzyl isopropyl propionate
	benzyl propyl propionate
	dimethyl benzyl carbinol propionate
alpha,-alpha-	dimethyl phenethyl propionate
alpha,alpha-	dimethyl phenyl ethyl propionate
	hairy propionate
(2-	methyl-1-phenylpropan-2-yl) propanoate
	propanoic acid (3-phenyl-2-methyl-2-propyl) ester
	propanoic acid 1,1-dimethyl-2-phenyl ethyl ester
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
6-	acetoxydihydrotheaspirane
alpha-	amyl cinnamyl acetate
alpha-	amyl cinnamyl alcohol
	arnica flower oil
	basil oleoresin sweet
	benzyl acetone
	benzyl phenyl acetate
	benzyl propionate
	buchu mercaptan
	cassis pentanone
	champaca absolute
	champaca flower oil
	clary sage absolute
	clary sage oil
	costus root absolute
	costus root oil
	costus root resinoid
	costus valerolactone
(-)-	cubenol
	cyperus root oil
2,4-	dimethyl thiazole
	elecampane root oil
	ethyl (E,Z)-2,4-decadienoate
	genet absolute
	geranyl formate
	geranyl methyl tiglate
	guaiacyl phenyl acetate
(-)-	guaiol
	guaiyl acetate
	heptanal dimethyl acetal
	heptyl butyrate
	honeysuckle absolute
	jasmin absolute
	jasmin absolute china
	jasmin absolute pommade
	jasmin acetate
	jasmin oil italy
	jasmin pyranol
	jasmin sambac absolute egypt
para-	jasmone
	maltyl isobutyrate
	mate absolute
	menthyl acetate
dextro,laevo-	menthyl acetate
	methyl 2-(methyl thio) butyrate
	methyl dihydrojasmonate
alpha-iso	methyl ionone (90% min.)
	methyl octenoate
	methyl thiomethyl butyrate
	passiflora acetate
	penten-1-yl cyclopentanone
	petitgrain heptane
	phenethyl acetate
	phenethyl isobutyrate
1-	phenyl propyl butyrate
ketoiso	phorone
	propyl isobutyrate
	satinaldehyde
	styralyl butyrate
	tea acetate
	tetrahydrolinalool
	tetrahydromyrcenol
	theaspirane
	verbena absolute france
	viridiflorol
(odor and/or flavor) used in :
	hair
	jasmin
	natural
	tea
natural occurrence in :
	not found in nature

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