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????????? ??? ???
?? ??:
101-86-0
???:
?????????
???(??):
????;?????????;?????;?? ??? ????;?????
???:
alpha-Hexylcinnamaldehyde
???(??):
HCA;HEXYL CINNAMIC ALDEHYDE;HEXYL CINNAMAL;HEXYLCINNAMALDEHYDE;JASMONAL H;α-Hexylcinnamaldehyde;FEMA 2569;A-HEXYLCINNAMALDEHYDE;alpha-Hexylzimtaldehyd;2-(phenylmethylene)-Octanal
CBNumber:
CB2154127
???:
C15H20O
??? ??:
216.32
MOL ??:
101-86-0.mol
MSDS ??:
SDS

????????? ??

?? ?
174-176 °C/15 mmHg (lit.)
??
0.95 g/mL at 25 °C (lit.)
FEMA
2569 | ALPHA-HEXYLCINNAMALDEHYDE
???
n20/D 1.55(lit.)
???
200 °F
?? ??
-20°C
???
?: 25°C?? ???0.005g/L
??? ??
??
??
?? ???
??
100.00%??. ??? ??? ?? ??? ?? ??
?? ??
???
???? ??
synthetic
JECFA Number
686
Henry's Law Constant
1.0×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
???
???
?? ??
?? ? ?
??? ?? ??
??
InChI
1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
InChIKey
GUUHFMWKWLOQMM-NTCAYCPXSA-N
SMILES
[H]C(=O)\C(CCCCCC)=C\c1ccccc1
LogP
5.33
CAS ??????
101-86-0(CAS DataBase Reference)
NIST
Octanal, 2-(phenylmethylene)-(101-86-0)
EPA
.alpha.-Hexylcinnamaldehyde (101-86-0)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? C,Xi
?? ???? ?? 36/37/38-34-43-52/53
????? 26-36/37/39-45-36-36/37-61
????(UN No.) UN 3265 8/PG 3
WGK ?? 2
RTECS ?? GD6560000
TSCA TSCA listed
HS ?? 29122990
???? ??? 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 2
Skin Sens. 1
?? The acute oral LD50 value in rats was reported as 3.1 g/kg (2.45-3.75 g/kg) (Moreno, 1971). The acute dermal LD50 value in rabbits was reported as > 3 g/kg (Moreno, 1971).
???? ?? KE-28401
????(GHS): Exclamation Mark (GHS07)Environment (GHS09)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H317 ????? ?? ??? ??? ? ?? ?? ??? ?? ?? 1 ?? P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H410 ??? ??? ?? ????? ?? ??? ?? ????? ?? - ?? ?? 1 ?? P273, P391, P501
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P272 ??? ??? ??? ??? ???? ???.
P273 ???? ???? ???.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P333+P313 ????? ?? ??? ???? ???? ??·??? ????.
NFPA 704
1
0 0

????????? C??? ??, ??, ??

??

α-Hexylcinnamaldehyde has a jasmine-like odor, particularly on dilution. May be synthesized by condensation of octylaldehyde with benzaldehyde.

??? ??

alpha-Hexylcinnamaldehyde is a yellow liquid with a mild, slightly fatty, floral, somewhat herbal odor, and a distinct jasmine note. Similarly to the -amyl homolog, -hexylcinnamaldehydemust be protected against oxidation by the addition of stabilizers. It is prepared in a manner similar to that of -amylcinnamaldehyde by alkaline condensation of excess benzaldehyde with octanal (instead of heptanal). -Hexylcinnamaldehyde is widely used in flower compositions (e.g., jasmine and gardenia) and, because of its stability to alkali, in soap perfumes.

??

Reported found in cooked, scented rice.

??

α-Hexylcinnamaldehyde is characterized by a typical floral scent, which makes them suitable to be used as fragrances in personal care (perfumes, creams, shampoos, etc.) and household products. It has been also used as flavouring additive in food and pharmaceutical industry.

??

ChEBI: A member of the class of cinnamaldehydes carrying a hexyl substituent at the alpha-position.

?? ??

By condensation of octylaldehyde with benzaldehyde

?? ??

Solubilization of α-hexylcinnamaldehyde by the ionic surfactants, sodium dodecyl sulfate and dodecyltrimethylammonium chloride and a non-ionic surfactant such as dodecyl polyoxyethylene ethers has been investigated.

???

Combustible.

?? ?? ??

Hexyl cinnamic aldehyde is a fragrance allergen. Its presence has to be mentioned by name in cosmetics within the EU.

Solubility in organics

Insoluble in Propylene glycol and Glycerin. Soluble in alcohol, miscible with oils.

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