allyl cyclohexyl butyrate-Spice database

2D:
3D:
CAS Number:	7493-65-4
FDA UNII:	9JIF47RD7B
CoE Number:	283
Category:	flavor and fragrance agents
IUPAC Name:	allyl cyclohexyl butyrate
InChI :	InChI=1/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2
Std.InChI:	InChI=1S/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2
InChIKey :	SIIAEMSHVLJRHI-UHFFFAOYAX
Std.InChIKey:	SIIAEMSHVLJRHI-UHFFFAOYSA-N
SMILES :	C=CCOC(=O)CCCC1CCCCC1
Molar Refractivity :	61.66 ± 0.3 cm3 (est)
Parachor :	537.0 ± 4.0 cm3 (est)
Index of Refraction :	1.459 ± 0.02 (est)
Surface Tension :	32.3 ± 3.0 dyne/cm (est)
Density :	0.934 ± 0.06 g/cm3 (est)
Polarizability :	24.44 ± 0.5 10-24cm3 (est)

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

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	14 allyl cyclohexane butyrate
DG SANTE Food Flavourings:	09.411 allyl cyclohexanebutyrate
FEMA Number:	2024 allyl cyclohexanebutyrate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	7493-65-4 ; ALLYL CYCLOHEXANEBUTYRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	98.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.94300 to 0.94900 @ 25.00 °C.
Pounds per Gallon - (est).:	7.847 to 7.897
Refractive Index:	1.46080 @ 20.50 °C.
Boiling Point:	104.00 °C. @ 1.00 mm Hg
Vapor Pressure:	0.003000 mmHg @ 25.00 °C. (est)
Flash Point:	> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w):	4.590 (est)
Soluble in:
	alcohol
	essential oils
	flavor chemicals
	propylene glycol, slightly
	water, 2.241 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

fatty fruity pineapple

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Allyl Cyclohexyl Butyrate

Parchem

Allyl Cyclohexyl Butyrate

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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Purity Specification:		< 0.1% free allyl alcohol
Recommendation for allyl cyclohexyl butyrate usage levels up to:
	8.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.01 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		<0.01 (μg/capita/day)
Structure Class:		II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
		average usual ppm	average maximum ppm
baked goods:		-	3.80000
beverages(nonalcoholic):		-	1.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	1.40000
fruit ices:		-	1.40000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	3.30000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,�-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):7493-65-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :61405

National Institute of Allergy and Infectious Diseases:Data

prop-2-enyl 4-cyclohexylbutanoate

Chemidplus:0007493654

References:

	prop-2-enyl 4-cyclohexylbutanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	7493-65-4
Pubchem (cid):	61405
Pubchem (sid):	135018887

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
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	HMDB38291
FooDB:	FDB017620
Export Tariff Code:	2915.60.0000
ChemSpider:	View

Potential Blenders and core components :

For Odor

aldehydic

iso

valeraldehyde
FL/FR

animal

methyl (E)-2-octenoate
FL/FR

camphoreous

herbal ethanone
FR

caramellic

maltyl isobutyrate
FL/FR

maltyl propionate
FL/FR

cheesy

heptanoic acid
FL/FR

chemical

propyl propionate
FL/FR

citrus

methyl heptenone
FL/FR

coconut

delta-

undecalactone
FL/FR

creamy

gamma-

butyrolactone
FL/FR

ethereal

decyl propionate
FL/FR

propyl valerate
FL/FR

fatty

allyl decanoate
FL/FR

allyl octanoate
FL/FR

iso

butyl undecylenate
FL/FR

coconut absolute
FL/FR

(S)-gamma-

decalactone
FL/FR

(R)-gamma-

decalactone
FL/FR

3-

decen-2-one
FL/FR

dodecyl butyrate
FL/FR

ethyl (Z)-linoleate
FL/FR

ethyl undecylenate
FL/FR

methyl 2-hexenoate
FL/FR

fermented

hexanal diethyl acetal
FL/FR

floral

citronellyl isovalerate
FL/FR

gamma-

damascone
FR

alpha-

damascone
FL/FR

(Z)-alpha-

damascone
FL/FR

ethyl safranate
FR

(E)-

geranyl acetone
FL/FR

geranyl hexanoate
FL/FR

geranyl valerate
FL/FR

helichrysum bracteatum flower oil
FR

hexyl 2-furoate
FL/FR

methyl citronellate
FL/FR

phenethyl acetate
FL/FR

phenethyl hexanoate
FL/FR

2-

phenyl propyl isobutyrate
FL/FR

fruity

allyl 10-undecenoate
FL/FR

allyl 3,5,5-trimethyl hexanoate
FL/FR

allyl amyl glycolate
FR

allyl butyrate
FL/FR

allyl cinnamate
FL/FR

allyl cyclohexyl acetate
FL/FR

allyl cyclohexyl propionate
FL/FR

allyl heptanoate
FL/FR

allyl hexanoate
FL/FR

allyl isovalerate
FL/FR

allyl phenoxyacetate
FL/FR

allyl propionate
FL/FR

allyl salicylate
FR

allyl sorbate
FL/FR

iso

amyl 2-methyl butyrate
FL/FR

amyl butyrate
FL/FR

iso

amyl hexanoate
FL/FR

iso

amyl isobutyrate
FL/FR

iso

amyl isovalerate
FL/FR

iso

amyl octanoate
FL/FR

iso

amyl propionate
FL/FR

amyl valerate
FL/FR

iso

amyl valerate
FL/FR

apple crotonate
FR

apple ketal
FL/FR

benzyl ethyl ether
FL/FR

benzyl isovalerate
FL/FR

benzyl propionate
FL/FR

iso

butyl 2-butenoate
FL/FR

iso

butyl acetate
FL/FR

butyl butyrate
FL/FR

iso

butyl butyrate
FL/FR

iso

butyl furyl propionate
FL/FR

butyl hexanoate
FL/FR

iso

butyl hexanoate
FL/FR

iso

butyl isobutyrate
FL/FR

iso

butyl isovalerate
FL/FR

butyl valerate
FL/FR

cherry pentenoate
FL/FR

cinnamyl isobutyrate
FL/FR

cyclohexyl butyrate
FL/FR

cyclohexyl hexanoate
FL/FR

cyclohexyl isovalerate
FL/FR

(E)-alpha-

damascone
FL/FR

decyl butyrate
FL/FR

diethyl malonate
FL/FR

(S)-gamma-

dodecalactone
FL/FR

ethyl (Z)-4-octenoate
FL/FR

ethyl 2-methyl butyrate
FL/FR

ethyl 3-(2-furyl) propanoate
FL/FR

ethyl 3-hexenoate
FL/FR

ethyl 3-hydroxyhexanoate
FL/FR

ethyl 3-methyl valerate
FL/FR

ethyl 3,5,5-trimethyl hexanoate
FR

ethyl 5-hydroxyoctanoate
FL/FR

ethyl acetoacetate
FL/FR

ethyl butyrate
FL/FR

ethyl cyclohexane propionate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

ethyl isovalerate
FL/FR

ethyl levulinate
FL/FR

ethyl propionate
FL/FR

ethyl valerate
FL/FR

ethyl-2-cyclopentenyl acetate
FR

fruity ketal
FL/FR

geranyl 2-methyl butyrate
FL/FR

geranyl acetoacetate
FL/FR

geranyl isovalerate
FL/FR

grape butyrate
FL/FR

green acetate
FR

4-

heptanone
FL/FR

heptyl isobutyrate
FL/FR

3-

hexanone
FL/FR

(Z)-3-

hexen-1-yl 2-methyl-2-pentenoate
FR

(Z)-3-

hexen-1-yl isobutyrate
FL/FR

hexyl (E)-tiglate
FL/FR

hexyl acetate
FL/FR

hexyl formate
FL/FR

linalyl hexanoate
FL/FR

methyl (E,Z)-2,4-decadienoate
FL/FR

methyl (Z)-4-octenoate
FL/FR

methyl 2-methyl butyrate
FL/FR

methyl 2-methyl valerate
FL/FR

methyl 3-nonenoate
FL/FR

methyl 4-methyl valerate
FL/FR

2-

methyl butyl isovalerate
FL/FR

methyl butyrate
FL/FR

methyl hexanoate
FL/FR

methyl isobutyrate
FL/FR

methyl isovalerate
FL/FR

methyl propionate
FL/FR

methyl valerate
FL/FR

(E)-7-

methyl-3-octen-2-one
FL/FR

(E)-2-

nonen-1-yl acetate
FL/FR

nonyl isovalerate
FL/FR

octyl heptanoate
FL/FR

pineapple hydroxyhexanoate
FL/FR

pineapple pentenoate
FL/FR

iso

propyl 2-methyl butyrate
FL/FR

iso

propyl butyrate
FL/FR

propyl heptanoate
FL/FR

iso

propyl hexanoate
FL/FR

propyl isobutyrate
FL/FR

iso

propyl isobutyrate
FL/FR

propyl isovalerate
FL/FR

iso

propyl isovalerate
FL/FR

iso

propyl propionate
FL/FR

tetrahydrofurfuryl butyrate
FL/FR

tropical ionone
FL/FR

2-

undecanone
FL/FR

vanilla carboxylate
FL/FR

green

iso

amyl 3-(2-furan) propionate
FL/FR

butyl heptanoate
FL/FR

cognac heptanone
FL/FR

dimethyl cyclohexyl 3-butenyl ketone
FR

ethyl (E,Z)-2,4-decadienoate
FL/FR

ethyl (E)-2-decenoate
FL/FR

ethyl (E)-4-decenoate
FL/FR

galbanum oxyacetate
FR

galbascone (IFF)
FR

heptanal dimethyl acetal
FL/FR

heptyl formate
FL/FR

(Z)-3-

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

(Z)-3-

hexen-1-yl acetate
FL/FR

(E)-2-

hexen-1-yl acetate
FL/FR

(Z)-3-

hexen-1-yl butyrate
FL/FR

(E)-2-

hexen-1-yl butyrate
FL/FR

(Z)-3-

hexen-1-yl hexanoate
FL/FR

(E)-2-

hexen-1-yl isovalerate
FL/FR

(Z)-3-

hexen-1-yl isovalerate
FL/FR

(Z)-3-

hexen-1-yl methyl carbonate
FL/FR

(E)-2-

hexen-1-yl propionate
FL/FR

(Z)-3-

hexen-1-yl propionate
FL/FR

(E)-2-

hexen-1-yl valerate
FL/FR

(Z)-3-

hexen-1-yl valerate
FL/FR

3-

hexenal
FL/FR

(Z)-3-

hexenal
FL/FR

(Z)-3-

hexenal diethyl acetal
FL/FR

3-

hexenyl 2-methyl butyrate
FL/FR

hexyl 2-methyl butyrate
FL/FR

hexyl butyrate
FL/FR

hexyl isobutyrate
FL/FR

hexyl octanoate
FL/FR

manzanate (Givaudan)
FL/FR

(Z)-5-

octen-1-yl propionate
FL/FR

(E)-2-

pentenal
FL/FR

phenoxyethyl isobutyrate
FL/FR

pineapple heptadienone 10%
FR

propyl tiglate
FL/FR

sorbyl isobutyrate
FL/FR

spirogalbanone (Givaudan)
FR

herbal

benzyl octanoate
FL/FR

herbal undecanone
FR

3-

octyl acetate
FL/FR

viridiflorol
FL/FR

nutty

2-

methyl-3-ethoxypyrazine
FL/FR

oily

methyl linolenate
FL/FR

spicy

cinnamyl isovalerate
FL/FR

sulfurous

buchu mercaptan
FL/FR

cassis pentanone
FL/FR

ethyl methyl mercaptopropionate
FL/FR

O-

methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR

passiflora acetate
FL/FR

tropical

ethyl (Z)-3-hexenoate
FL/FR

cis-

galbanum oxathiane
FL/FR

pina colada fragrance
FR

tropical 3-thiobutyrate
FL/FR

2-

tropical oxathiane
FL/FR

waxy

allyl nonanoate
FL/FR

(Z)-4-

decen-1-ol
FL/FR

ethyl decanoate
FL/FR

ethyl octanoate
FL/FR

heptyl octanoate
FL/FR

methyl undecanoate
FR

propyl decanoate
FL/FR

(E)-2-

tridecen-1-yl acetate
FL/FR

winey

2-

hexanol
FL/FR

woody

iso

bornyl isovalerate
FL/FR

marine formate
FR

For Flavor

No flavor group

Potential Uses:

FR	butter
FL	fruit tropical fruit
FR	pineapple
FL	tropical

Occurrence (nature, food, other):

not found in nature

Synonyms:

	allyl 4-cyclohexyl butyrate
	allyl 4-cyclohexylbutyrate
	allyl cyclohexane butyrate
	allyl cyclohexanebutyrate
	allyl hexahydrophenyl butyrate
	cyclohexane butanoic acid 2-propenyl ester
	cyclohexane butyric acid allyl ester
	cyclohexanebutanoic acid, 2-propenyl ester
	cyclohexanebutyric acid, allyl ester
	prop-2-enyl 4-cyclohexylbutanoate
2-	propen-1-yl cyclohexane butyrate
2-	propen-1-yl cyclohexanebutyrate
2-	propenyl cyclohexane butanoate
2-	propenyl cyclohexanebutanoate

Articles:

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