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dimethyl cyclohexyl 3-butenyl ketone
4-penten-1-one, 1-(3,3-dimethylcyclohexyl)-

Supplier Sponsors

Name:	1-(3,3-dimethylcyclohexyl)pent-4-en-1-one
CAS Number:	56973-87-6	3D/inchi
ECHA ELINCS - REACH Pre-Reg:	422-330-8
FDA UNII:	Search
Nikkaji Web:	J2.583.383J
XlogP3-AA:	3.70 (est)
Molecular Weight:	194.31754000
Formula:	C13 H22 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:fragrance agents

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

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	265.00 to 267.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.009000 mmHg @ 25.00 °C. (est)
Flash Point:	221.00 °F. TCC ( 104.80 °C. ) (est)
logP (o/w):	3.908 (est)
Soluble in:
	alcohol
	water, 11.13 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: green

green galbanum fruity pineapple herbal balsamic fir needle

Odor Description:at 100.00 %. green galbanum fruity pineapple herbal balsamic fir needle

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	perfuming agents

Suppliers:

None found

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 dimethyl cyclohexyl 3-butenyl ketone flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):56973-87-6

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6453423

National Institute of Allergy and Infectious Diseases:Data

1-(3,3-dimethylcyclohexyl)pent-4-en-1-one

Chemidplus:0056973876

References:

	1-(3,3-dimethylcyclohexyl)pent-4-en-1-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	56973-87-6
Pubchem (cid):	6453423
Pubchem (sid):	135269486

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 note

For Odor

balsamic

laevo-

bornyl acetate
FL/FR

bornyl formate
FL/FR

iso

bornyl isobutyrate
FL/FR

iso

bornyl phenyl acetate
FL/FR

cotinus coggygria branch/leaf oil
FL/FR

frankincense absolute
FL/FR

khella oil
FR

nopol
FL/FR

(Z)-

pinane
FR

camphoreous

camphor tree bark oil
FL/FR

cheesy

heptanoic acid
FL/FR

chemical

propyl propionate
FL/FR

earthy

(E+Z)-2,4,8-

trimethyl-3,7-nonadien-2-ol
FL/FR

ethereal

propyl valerate
FL/FR

fatty

allyl decanoate
FL/FR

allyl octanoate
FL/FR

methyl 2-hexenoate
FL/FR

floral

benzyl acetone
FL/FR

blue mist fragrance
FR

geranyl valerate
FL/FR

helichrysum bracteatum flower oil
FR

(Z)-3-

hexen-1-yl salicylate
FL/FR

ho wood oil
FR

linalool oxide (furanoid)
FL/FR

magnolia flower oil CO2 extract
FL/FR

2-iso

propoxyethyl salicylate
FR

fruity

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

allyl amyl glycolate
FR

allyl cyclohexyl acetate
FL/FR

allyl cyclohexyl butyrate
FL/FR

allyl heptanoate
FL/FR

amyl propionate
FL/FR

benzyl ethyl ether
FL/FR

benzyl isovalerate
FL/FR

iso

butyl butyrate
FL/FR

iso

butyl hexanoate
FL/FR

butyl valerate
FL/FR

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

ethyl 3-hexenoate
FL/FR

ethyl 3-methyl valerate
FL/FR

ethyl 5-hydroxyoctanoate
FL/FR

ethyl butyrate
FL/FR

ethyl cyclohexane propionate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

ethyl-2-cyclopentenyl acetate
FR

geranyl isovalerate
FL/FR

methyl hexanoate
FL/FR

methyl isovalerate
FL/FR

iso

propyl hexanoate
FL/FR

iso

propyl isobutyrate
FL/FR

green

holy

basil leaf oil
FL/FR

S-sec-

butyl thioisovalerate
FL/FR

galbanum oxyacetate
FR

galbascone (IFF)
FR

heptyl benzoate
FL/FR

hexenyl 2-methyl butyrate
FL/FR

leafy oxime
FR

neogall
FR

pineapple heptadienone 10%
FR

iso

propyl 3-methyl thiocrotonate
FL/FR

iso

propyl thioisovalerate
FL/FR

(E,E)-

sorbyl isobutyrate
FL/FR

spirogalbanone (Givaudan)
FR

herbal

herbal undecanone
FR

ormenis multicaulis flower oil morocco
FR

psiadia altissima leaf oil
FR

rhododendron anthopogon leaf oil
FR

rosemary oil africa
FL/FR

rosemary oil corsica
FL/FR

rosemary oil tunisia
FL/FR

nutty

methyl-3-ethoxypyrazine
FL/FR

pine

pine oil 60
FR

pine oil 85
FR

spicy

walnut leaf oil
FR

sulfurous

ethyl methyl mercaptopropionate
FL/FR

terpenic

laevo-

limonene
FL/FR

tropical

cis-

galbanum oxathiane
FL/FR

pina colada fragrance
FR

tropical 3-thiobutyrate
FL/FR

tropical oxathiane
FL/FR

waxy

ethyl octanoate
FL/FR

woody

callitris intratropica wood oil australia
FR

iso

longifolene epoxide
FR

spruce needle oil canada
FL/FR

tetrahydromugol
FR

woody acetate
FR

For Flavor

No flavor group found for these

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

allyl cyclohexyl butyrate
FL/FR

amyl propionate
FL/FR

holy

basil leaf oil
FL/FR

benzyl ethyl ether
FL/FR

bornyl formate
FL/FR

iso

bornyl phenyl acetate
FL/FR

S-sec-

butyl thioisovalerate
FL/FR

cotinus coggygria branch/leaf oil
FL/FR

ethyl 3-methyl valerate
FL/FR

ethyl 5-hydroxyoctanoate
FL/FR

ethyl cyclohexane propionate
FL/FR

geranyl valerate
FL/FR

heptyl benzoate
FL/FR

linalool oxide (furanoid)
FL/FR

magnolia flower oil CO2 extract
FL/FR

methyl 2-hexenoate
FL/FR

methyl-3-ethoxypyrazine
FL/FR

nopol
FL/FR

iso

propyl 3-methyl thiocrotonate
FL/FR

iso

propyl hexanoate
FL/FR

iso

propyl isobutyrate
FL/FR

iso

propyl thioisovalerate
FL/FR

propyl valerate
FL/FR

(E,E)-

sorbyl isobutyrate
FL/FR

(E+Z)-2,4,8-

trimethyl-3,7-nonadien-2-ol
FL/FR

sorbyl isobutyrate
FL/FR

balsamic

laevo-

bornyl acetate
FL/FR

iso

bornyl isobutyrate
FL/FR

camphoreous

bornyl acetate
FL/FR

camphor tree bark oil
FL/FR

rosemary oil tunisia
FL/FR

fatty

allyl octanoate
FL/FR

fruity

allyl cyclohexyl acetate
FL/FR

allyl decanoate
FL/FR

allyl heptanoate
FL/FR

benzyl acetone
FL/FR

benzyl isovalerate
FL/FR

iso

butyl butyrate
FL/FR

iso

butyl hexanoate
FL/FR

butyl valerate
FL/FR

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

ethyl 3-hexenoate
FL/FR

ethyl butyrate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

methyl hexanoate
FL/FR

methyl isovalerate
FL/FR

green

cis-

galbanum oxathiane
FL/FR

geranyl isovalerate
FL/FR

(Z)-3-

hexen-1-yl salicylate
FL/FR

hexenyl 2-methyl butyrate
FL/FR

herbal

rosemary oil africa
FL/FR

rosemary oil corsica
FL/FR

medicinal

frankincense absolute
FL/FR

sulfurous

ethyl methyl mercaptopropionate
FL/FR

tropical 3-thiobutyrate
FL/FR

terpenic

laevo-

limonene
FL/FR

tropical

propyl propionate
FL/FR

tropical oxathiane
FL/FR

waxy

ethyl octanoate
FL/FR

heptanoic acid
FL/FR

woody

spruce needle oil canada
FL/FR

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

1-(3,3-	dimethyl cyclohexyl)-4-penten-1-one
1-(3,3-	dimethylcyclohexyl)-4-penten-1-one
1-(3,3-	dimethylcyclohexyl)pent-4-en-1-one
4-	penten-1-one, 1-(3,3-dimethylcyclohexyl)-
1-(4-	pentenoyl)-3,3-dimethylcyclohexane

Articles:

US Patents:Intermediates used in the process for preparing 1(4-pentenoyl)-3,3-dimethylcyclohexane

US Patents:Use of substituted cyclohexyl carboalkoxy ketone in augmenting or enhancing the aroma or taste of foodstuffs

Notes:

None found

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dimethyl cyclohexyl 3-butenyl ketone 4-penten-1-one, 1-(3,3-dimethylcyclohexyl)-

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Articles:

dimethyl cyclohexyl 3-butenyl ketone
4-penten-1-one, 1-(3,3-dimethylcyclohexyl)-