allyl heptine carbonate 73157-43-4

allyl heptine carbonate

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IUPAC name :

prop-2-enyl oct-2-ynoate

InChI :

InChI=1/C11H16O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-7,10H2,1H3

InChIKey :

YJHAHRNANWIZTN-UHFFFAOYAQ

SMILES :

CCCCCC#CC(=O)OCC=C

cas number :	73157-43-4
(EINECS) number :	277-303-1
molar refractivity :	52.51 ± 0.3 cm3
parachor :	461.6 ± 4.0 cm3
index of refraction :	1.459 ± 0.02
surface tension :	33.4 ± 3.0 dyne/cm
density :	0.938 ± 0.06 g/cm3
polarizability :	20.81 ± 0.5 10-24cm3
XlogP :	3.90
XlogP3-AA :	3.80
molecular weight :	180.2435400
formula :	C11 H16 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

properties :

Food Chemicals Codex Listed :

boiling point :

259.00 to 260.00 °C. @ 760.00 mm Hg

vapor pressure :

0.01200 mm/Hg @ 25.00 °C.

flash point :

225.00 °F. TCC ( 107.22 °C. )

logP (o/w) :

4.39

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

IFRA critical Effect :

Sensitization

IFRA purity specification :

< 0.1% free allyl alcohol

IFRA fragrance material specification :

Should not be used such that the level in the finished cosmetic products exceeds 0.002 %. Based on test results showing the absence of sensitising reactions for allyl heptine carbonate at low concentrations in a test on humans. This material should not be used in combination with any other 2-alkynoic acid ester (e.g. methyl heptine carbonate). (IFRA guidelines).

limits in the finished product for - "leave on the skin contact" :

0.0020 % Restriction.

limits in the finished product for - "wash off the skin contact" :

0.0020 % Restriction.

limits in the finished product for - "no skin contact" :

0.1250 % Restriction.

recommendation for allyl heptine carbonate usage levels up to :

not for fragrance use.

recommendation for allyl heptine carbonate usage levels up to :

not for flavor use.

safety references :

EPI System :

view

IFRA :

IFRA - ( Found under : Allyl heptine carbonate )

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

SCCNFP :

opinion

prop-2-enyl oct-2-ynoate

(EINECS) number :

277-303-1

chemidplus :

073157434

EPA Substance Registry Services :

73157-43-4

references :

prop-2-enyl oct-2-ynoate

pubchem :

733170

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

synonyms :
	allyl oct-2-ynoate
2-	octynoic acid 2-propenyl ester
	prop-2-enyl oct-2-ynoate
(2-	propenyl) 2-octynoate
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
	not found in nature

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