hexyl cinnamate

fragrance agents

2D:
3D:
CAS Number:	3488-00-4
ECHA EC Number:	222-479-7
FDA UNII:	532UJ0Y6RI
Category:	fragrance agents
IUPAC Name:	hexyl cinnamate
InChI :	InChI=1/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+
Std.InChI:	InChI=1S/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+
InChIKey :	UYWPFEKMTYDVQM-VAWYXSNFBT
Std.InChIKey:	UYWPFEKMTYDVQM-VAWYXSNFSA-N
SMILES :	CCCCCCOC(=O)/C=C/C1=CC=CC=C1
Molar Refractivity :	71.71 ± 0.3 cm3 (est)
Parachor :	573.6 ± 4.0 cm3 (est)
Index of Refraction :	1.527 ± 0.02 (est)
Surface Tension :	36.7 ± 3.0 dyne/cm (est)
Density :	0.997 ± 0.06 g/cm3 (est)
Polarizability :	28.42 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.99700 @ 25.00 °C.
Refractive Index:	1.50150 @ 25.00 °C.
Boiling Point:	324.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.000126 mmHg @ 25.00 °C. (est)
Flash Point:	354.00 °F. TCC ( 178.89 °C. )
logP (o/w):	4.833 (est)
Soluble in:
	alcohol
	water, 2.296 mg/L @ 25 °C (est)
Insoluble in:
	water
Similar Items:note
allyl cinnamate
amyl cinnamate
isoamyl cinnamate
benzyl cinnamate
butyl cinnamate
isobutyl cinnamate
cinnamyl cinnamate
citronellyl cinnamate
cyclohexyl cinnamate
ethyl alpha-acetyl cinnamate
ethyl cinnamate
heptyl cinnamate
(Z)-3-hexen-1-yl cinnamate
linalyl cinnamate
methyl cinnamate
octyl cinnamate
phenethyl cinnamate
3-phenyl propyl cinnamate
propyl cinnamate
isopropyl cinnamate
terpinyl cinnamate
tetrahydrofurfuryl cinnamate

Organoleptic Properties:

cypress cumin fruity balsamic

Cosmetic Information:

None found

Suppliers:

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for hexyl cinnamate usage levels up to:
	3.0000 % in the fragrance concentrate.

Recommendation for hexyl cinnamate flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6437300

National Institute of Allergy and Infectious Diseases:Data

hexyl (E)-3-phenylprop-2-enoate

Chemidplus:0003488004

References:

	hexyl (E)-3-phenylprop-2-enoate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	6437300
Pubchem (sid):	135064497

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

Potential Blenders and core components :

For Odor

No odor group found for these

cinnamyl valerate
FL/FR

animal

methyl (E)-2-octenoate
FL/FR

balsamic

iso

amyl benzoate
FL/FR

iso

bornyl phenyl acetate
FL/FR

butyl benzoate
FL/FR

iso

butyl cinnamate
FL/FR

cinnamyl alcohol
FL/FR

cinnamyl benzoate
FL/FR

cinnamyl butyrate
FL/FR

(E)-

cinnamyl butyrate
FL/FR

cinnamyl cinnamate
FL/FR

cinnamyl formate
FL/FR

ethyl cinnamate
FL/FR

fir carboxylate
FR

(Z)-3-

hexen-1-yl cinnamate
FR

linalyl cinnamate
FL/FR

octyl benzoate
FR

octyl cinnamate
FR

peru balsam oil
FL/FR

peru balsam resinoid
FL/FR

phenoxyethyl formate
FR

phenyl propyl acetate
FL/FR

phenyl salicylate
FR

black

poplar bud oleoresin
FL/FR

prenyl benzoate
FL/FR

propyl cinnamate
FL/FR

terpinyl benzoate
FR

terpinyl butyrate
FL/FR

tetrahydrofurfuryl cinnamate
FL/FR

citrus

(R)-

citronellyl nitrile
FR

citrus specialty
FR

heptanol
FL/FR

ethereal

cyclohexyl formate
FL/FR

fatty

decen-2-one
FL/FR

hexyl pivalate
FR

methyl (E)-2-hexenoate
FL/FR

methyl 2-hexenoate
FL/FR

floral

alpha-

amyl cinnamaldehyde diethyl acetal
FR

alpha-

amyl cinnamyl acetate
FL/FR

benzyl acetone
FL/FR

boronia absolute
FL/FR

cassis cyclohexene
FR

cinnamyl phenyl acetate
FL/FR

cumin carbinol
FR

gamma-

damascone
FR

dihydrocarvyl acetate
FL/FR

(±)-2,3-

dihydrofarnesol
FL/FR

6,8-

dimethyl-2-nonanol
FR

(E)-

geranyl acetone
FL/FR

geranyl formate
FL/FR

geranyl isobutyrate
FL/FR

hexyl lactate
FL/FR

hexyl nonanoate
FL/FR

jasmin cyclopentanol
FR

(Z)-

jasmone
FL/FR

lilyall
FR

(2-

methoxy-1-methyl propyl) benzene
FR

para-

methyl benzyl acetate
FL/FR

papaya isobutyrate
FL/FR

tilia cordata flower oil CO2 extract
FR

fruity

allyl amyl glycolate
FR

allyl butyrate
FL/FR

allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR

iso

amyl butyrate
FL/FR

butyl bicyclo[3.2.1]-6-octen-2-one
FR

iso

butyl octanoate
FL/FR

iso

butyl propionate
FL/FR

cherry pentenoate
FL/FR

cinnamyl hexanoate
FL/FR

cinnamyl isobutyrate
FL/FR

cyclopentyl cyclopentanone
FL/FR

1,4-

dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR

diethyl malonate
FL/FR

dimethyl succinate
FL/FR

ethyl (E)-3-hexenoate
FL/FR

ethyl 2-cyclohexyl propionate
FR

ethyl 2-hexenoate
FL/FR

ethyl 2-octenoate
FL/FR

ethyl acetoacetate
FL/FR

ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR

endo-

ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FR

ethyl levulinate
FL/FR

ethyl methyl-para-tolyl glycidate
FL/FR

(E,E)-

ethyl sorbate
FL/FR

fig crotonate
FR

fruity butanate
FR

geranyl ethyl ether
FL/FR

geranyl isovalerate
FL/FR

heptyl butyrate
FL/FR

heptyl isobutyrate
FL/FR

heptyl valerate
FR

hexen-1-ol
FL/FR

(E)-3-

hexen-1-yl acetate
FL/FR

(Z)-3-

hexen-1-yl anthranilate
FL/FR

(Z)-3-

hexen-1-yl isobutyrate
FL/FR

hexyl (E)-tiglate
FL/FR

hexyl acetate
FL/FR

hexyl isovalerate
FL/FR

hexyl propionate
FL/FR

hexyl valerate
FL/FR

methyl heptanoate
FL/FR

methyl octadienoate
FL/FR

methyl valerate
FL/FR

methyl-2-butenal
FL/FR

nerolidyl isobutyrate
FR

(Z)-6-

nonenal dimethyl acetal
FR

octen-1-yl cyclopentanone
FL/FR

octyl butyrate
FL/FR

pentyl furan
FL/FR

phenyl propyl hexanoate
FL/FR

phenyl propyl isobutyrate
FL/FR

phenyl-2-butyl acetate
FL/FR

pineapple pentenoate
FL/FR

prenyl hexanoate
FL/FR

rhubarb undecane
FR

sorbyl butyrate
FL/FR

(E,E)-

sorbyl butyrate
FL/FR

tetrahydrofurfuryl butyrate
FL/FR

tropical specialty
FR

tropical thiazole
FL/FR

tropical trithiane
FL/FR

green

acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR

actinidia chinensis fruit extract
FL/FR

actinidia chinensis fruit water
FR

allyl phenethyl ether
FR

cumin acetaldehyde
FL/FR

black

currant bud absolute replacer
FL/FR

alpha-

decalactone
FL/FR

ethyl (E)-2-hexenoate
FL/FR

ethyl (E)-4-decenoate
FL/FR

galbanum specialty
FR

green dioxolane
FR

green note propionate
FL/FR

herbal cyclohexane
FR

(Z)-3-

hexen-1-yl (E)-2-hexenoate
FL/FR

(Z)-3-

hexen-1-yl 2-methyl butyrate
FL/FR

(Z)-3-

hexen-1-yl acetate
FL/FR

(Z)-3-

hexen-1-yl hexanoate
FL/FR

(Z)-3-

hexen-1-yl isovalerate
FL/FR

(E)-2-

hexen-1-yl propionate
FL/FR

(E)-2-

hexen-1-yl valerate
FL/FR

(Z)-3-

hexen-1-yl valerate
FL/FR

(E)-2-

hexenal propylene glycol acetal
FL/FR

hexenyl acetate
FL/FR

(Z)-3-

hexenyl methyl ether
FR

hexyl isobutyrate
FL/FR

hexyl octanoate
FL/FR

manzanate (Givaudan)
FL/FR

methyl (E)-3-hexenoate
FL/FR

neogall
FR

(E)-2-

pentenal
FL/FR

propylene acetal
FL/FR

sorbyl isobutyrate
FL/FR

(E,E)-

sorbyl isobutyrate
FL/FR

1-[(3aS,7aR)-3a,4,7,7a-

tetrahydro-1H-inden-6-yl]ethanone
FR

thiogeraniol
FL/FR

violet dienyne
FR

herbal

celery ketone
FL/FR

celery undecene
FR

cyclohexyl cyclohexanone
FR

daucus carota fruit oil
FL/FR

methoxy-2,6-dimethyl octanal
FR

(1S,5R)-

myrtenyl acetate
FL/FR

nonisyl acetate
FR

pentyl acetate
FL/FR

perillaldehyde
FL/FR

tagete oil india
FL/FR

tricyclodecyl acetate
FR

viridiflorol
FL/FR

medicinal

summer

savory oil
FL/FR

minty

carvyl acetate
FL/FR

spicy

alpha-

amyl cinnamyl alcohol
FL/FR

cinnamaldehyde / methyl anthranilate schiff's base
FR

cinnamyl acetate
FL/FR

cinnamyl isovalerate
FL/FR

(E)-

cinnamyl nitrile
FR

cinnamyl propionate
FL/FR

cumin seed absolute
FL/FR

cumin seed oil
FL/FR

cuminaldehyde
FL/FR

cuminyl alcohol
FL/FR

cuminyl nitrile
FR

2,5-

dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR

(E)-

propyl 2-furan acrylate
FL/FR

4-iso

propyl-2-cyclohexenone
FL/FR

spicy acetoacetate
FL/FR

(±)-1,2,5,6-

tetrahydrocuminic acid
FL/FR

sulfurous

methyl 4-mercaptopentan-2-one 1% solution
FL/FR

terpenic

pine needle oil dwarf
FL/FR

waxy

(E)-

methyl geranate
FL/FR

octyl 2-methyl butyrate
FL/FR

winey

methyl 3-acetoxyoctanoate
FL/FR

woody

cinnamyl tiglate
FL/FR

cistus twig/leaf absolute
FR

santalyl butyrate
FL/FR

verdoxan
FR

For Flavor

No flavor group found for these

acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR

iso

bornyl phenyl acetate
FL/FR

butyl benzoate
FL/FR

iso

butyl octanoate
FL/FR

cinnamyl benzoate
FL/FR

(E)-

cinnamyl butyrate
FL/FR

cinnamyl hexanoate
FL/FR

cinnamyl phenyl acetate
FL/FR

cinnamyl tiglate
FL/FR

cinnamyl valerate
FL/FR

cyclopentyl cyclopentanone
FL/FR

alpha-

decalactone
FL/FR

ethyl 2-hexenoate
FL/FR

ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR

geranyl ethyl ether
FL/FR

heptyl butyrate
FL/FR

(E)-2-

hexenal propylene glycol acetal
FL/FR

hexenyl acetate
FL/FR

hexyl nonanoate
FL/FR

hexyl propionate
FL/FR

hexyl valerate
FL/FR

methyl (E)-2-hexenoate
FL/FR

methyl 2-hexenoate
FL/FR

methyl 3-acetoxyoctanoate
FL/FR

methyl 4-mercaptopentan-2-one 1% solution
FL/FR

(E)-

methyl geranate
FL/FR

methyl octadienoate
FL/FR

Potential Uses:

FR	balsam
FR	cypress oil replacer
	dry
FR	powder
FR	sap
FR	woody

Occurrence (nature, food, other):

not found in nature

Synonyms:

	hexyl (2E)-3-phenyl-2-butenoate
	hexyl (2E)-3-phenylacrylate
	hexyl (2E)-3-phenylprop-2-enoate
	hexyl (E)-3-phenyl prop-2-enoate
	hexyl (E)-3-phenyl-2-butenoate
	hexyl (E)-3-phenylprop-2-enoate
2-	propenoic acid, 3-phenyl-, hexyl ester, (2E)-

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles