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citronellyl isovalerate
3,7-dimethyl-6-octen-1-yl 3-methylbutanoate

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Augustus Oils Ltd

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CODE101586 CODE101586
Product(s):
Citronellyl Iso Valerate

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CODE101586 CODE101586
Product(s):
68922-10-1 Citronellyl Isovalerate

Lluch Essence S.L.

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Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
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Product(s):
CITRONELLYL ISOVALERATE

Penta International Corporation

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For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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Product(s):
03-39300 CITRONELLYL ISOVALERATE

SRS Aromatics Ltd

For over 25 years
Bringing flavour and fragrance into your world.
As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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Product(s):
CITRONELLYL ISO VALERATE

Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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CODE101586 CODE101586
Product(s):
W035 Citronellyl Iso-valerate

Name:	3,7-dimethyloct-6-enyl 3-methylbutanoate
CAS Number:	68922-10-1	3D/inchi
ECHA EINECS - REACH Pre-Reg:	272-982-0
FDA UNII:	Search
Nikkaji Web:	J46.678F
CoE Number:	455
XlogP3-AA:	5.00 (est)
Molecular Weight:	240.38656000
Formula:	C15 H28 O2
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:flavor and 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
DG SANTE Food Flavourings:	09.460 citronellyl isovalerate

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	96.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.88000 to 0.89000 @ 25.00 °C.
Pounds per Gallon - (est).:	7.322 to 7.406
Refractive Index:	1.44300 to 1.45300 @ 20.00 °C.
Boiling Point:	237.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.001000 mmHg @ 25.00 °C. (est)
Flash Point:	196.00 °F. TCC ( 91.11 °C. )
logP (o/w):	5.578 (est)
Soluble in:
	alcohol
	water, 0.2171 mg/L @ 25 °C (est)
Insoluble in:
	water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate

Organoleptic Properties:

Odor Type: floral

honey rose herbal chamomile currant black currant apple

Odor Description:at 100.00 %. honey rose herbal chamomile black currant apple

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

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	perfuming agents

Suppliers:

Augustus Oils

Citronellyl Iso Valerate

Services

BOC Sciences

For experimental / research use only.

Citronellyl Isovalerate

Grau Aromatics

CITRONELLYL-iso-VALERATE

NI, Kosher

Lluch Essence

CITRONELLYL ISOVALERATE

Naturamole

citronellyl isovalerate 98% natural EU

Penta International

CITRONELLYL ISOVALERATE

SRS Aromatics

CITRONELLYL ISO VALERATE

Synerzine

Citronellyl Iso-valerate

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
Recommendation for citronellyl isovalerate usage levels up to:
	3.0000 % in the fragrance concentrate.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):68922-10-1

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :111440

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

3,7-dimethyloct-6-enyl 3-methylbutanoate

Chemidplus:0068922101

References:

	3,7-dimethyloct-6-enyl 3-methylbutanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	68922-10-1
Pubchem (cid):	111440
Pubchem (sid):	135068413
Pherobase:	View

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):	HMDB38954
FooDB:	FDB018437
Export Tariff Code:	2915.60.0000
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

For Odor

animal

para-

cresyl phenyl acetate
FL/FR

citrus

lemon balm fragrance
FR

melissa oil replacer
FR

lemon scented

tea tree oil
FR

floral

iso

amyl angelate
FL/FR

benzyl phenyl acetate
FL/FR

cassis buteneone
FR

cassis oxime 10%
FR

citronellyl phenyl acetate
FL/FR

citronellyl valerate
FL/FR

citrus propanol
FR

delta-

damascone
FL/FR

(Z)-alpha-

damascone
FL/FR

dihydroisojasmonate methyl ester
FR

ethyl hydrocinnamate
FL/FR

ethyl phenyl acetate
FL/FR

ethyl safranate
FR

genet concrete
FR

geranium oil morocco
FL/FR

geranyl phenyl acetate
FL/FR

geranyl propionate
FL/FR

linalyl phenyl acetate
FL/FR

neryl formate
FL/FR

neryl phenyl acetate
FR

octyl isovalerate
FL/FR

phenethyl acetate
FL/FR

phenethyl phenyl acetate
FL/FR

rosa alba flower oil CO2 extract
FR

rose carboxylate
FR

fruity

artemisia pallens herb oil
FL/FR

benzyl isovalerate
FL/FR

(E)-beta-

damascenone
FL/FR

(E)-alpha-

damascone
FL/FR

(E)-beta-

damascone
FL/FR

beta-

damascone
FL/FR

(Z)-beta-

damascone
FL/FR

eriocephalus punctulatus flower oil
FR

geranyl 2-methyl butyrate
FL/FR

green acetate
FR

heptyl butyrate
FL/FR

green

iso

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

iso

amyl formate
FL/FR

(Z)-3-

hexen-1-yl phenyl acetate
FL/FR

hexenyl 2-methyl butyrate
FL/FR

phenoxyethyl isobutyrate
FL/FR

herbal

barosma betulina leaf oil
FL/FR

buchu mercaptan acetate
FL/FR

chamomile isobutyrate
FR

chamomile octenone
FR

chamomile propionate
FR

chamomile valerate
FR

2,10-

epoxypinane
FR

geranic oxide
FL/FR

geranium concrete
FL/FR

geranyl octanoate
FL/FR

herbal acetal
FR

juniper carboxaldehyde
FR

levisticum officinale root absolute
FL/FR

melaleuca leucadendron cajaputi oil
FL/FR

methyl ortho-anisate
FL/FR

octyl acetate
FL/FR

rosemary oil CO2 extract
FL/FR

tagete oil india
FL/FR

honey

butyl phenyl acetate
FL/FR

phenethyl furoate
FL/FR

mentholic

laevo-

menthyl acetate
FL/FR

minty

diosphenol
FL/FR

powdery

dibenzyl ketone
FL/FR

spicy

cubeb oil
FL/FR

black

currant bud absolute
FL/FR

iso

eugenyl phenyl acetate
FL/FR

gingergrass oil
FR

levisticum officinale root oil
FL/FR

sulfurous

methoxy-2-methyl butane thiol
FL/FR

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

waxy

dihydrocitronellyl acetate
FL/FR

waxy acetate
FR

woody

cistus twig/leaf oil
FL/FR

For Flavor

No flavor group found for these

iso

amyl angelate
FL/FR

citronellyl valerate
FL/FR

(E)-beta-

damascenone
FL/FR

(Z)-alpha-

damascone
FL/FR

dihydrocitronellyl acetate
FL/FR

ethyl hydrocinnamate
FL/FR

geranyl 2-methyl butyrate
FL/FR

geranyl octanoate
FL/FR

linalyl phenyl acetate
FL/FR

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

methyl ortho-anisate
FL/FR

octyl isovalerate
FL/FR

phenethyl furoate
FL/FR

iso

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

beta-

damascone
FL/FR

bitter

dibenzyl ketone
FL/FR

camphoreous

geranic oxide
FL/FR

floral

citronellyl phenyl acetate
FL/FR

geranium oil morocco
FL/FR

geranyl phenyl acetate
FL/FR

fruity

artemisia pallens herb oil
FL/FR

benzyl isovalerate
FL/FR

buchu mercaptan acetate
FL/FR

(E)-beta-

damascone
FL/FR

(E)-alpha-

damascone
FL/FR

(Z)-beta-

damascone
FL/FR

neryl formate
FL/FR

green

iso

amyl formate
FL/FR

heptyl butyrate
FL/FR

(Z)-3-

hexen-1-yl phenyl acetate
FL/FR

hexenyl 2-methyl butyrate
FL/FR

octyl acetate
FL/FR

phenoxyethyl isobutyrate
FL/FR

herbal

barosma betulina leaf oil
FL/FR

geranium concrete
FL/FR

melaleuca leucadendron cajaputi oil
FL/FR

rosemary oil CO2 extract
FL/FR

tagete oil india
FL/FR

honey

benzyl phenyl acetate
FL/FR

butyl phenyl acetate
FL/FR

ethyl phenyl acetate
FL/FR

phenethyl acetate
FL/FR

phenethyl phenyl acetate
FL/FR

minty

diosphenol
FL/FR

laevo-

menthyl acetate
FL/FR

phenolic

para-

cresyl phenyl acetate
FL/FR

spicy

cubeb oil
FL/FR

black

currant bud absolute
FL/FR

iso

eugenyl phenyl acetate
FL/FR

levisticum officinale root absolute
FL/FR

levisticum officinale root oil
FL/FR

sulfurous

methoxy-2-methyl butane thiol
FL/FR

waxy

geranyl propionate
FL/FR

woody

cistus twig/leaf oil
FL/FR

delta-

damascone
FL/FR

Potential Uses:

FR	apple
FR	chamomile
FR	currant black currant
FR	date
FL	grenadine
FR	honey
FR	melon
FR	orange blossom
FR	orchid
FR	patchouli
FR	quince
FR	rose
FR	rose moss rose

Occurrence (nature, food, other):note

valerian root oil @ 0.2-2.1%
Data GC Search Trop Picture

Synonyms:

	butanoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester
	butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
	citronellyl iso valerinate
	citronellyl iso-valerate
	citronellyl isovalerate
	citronellyl-iso-valerate
	dihydrogeranyl isovalerate
(1)-3,7-	dimethyl oct-6-enyl isovalerate
3,7-	dimethyl oct-6-enyl isovalerate
3,7-	dimethyl-6-octen-1-yl 3-methyl butanoate
3,7-	dimethyl-6-octen-1-yl 3-methylbutanoate
3,7-	dimethyloct-6-en-1-yl 3-methylbutanoate
3,7-	dimethyloct-6-enyl 3-methylbutanoate
(1)-3,7-	dimethyloct-6-enyl isovalerate
3,7-	dimethyloct-6-enyl isovalerate
3-	methyl butanoic acid 3,7-dimethyl-6-octenyl ester

Articles:

PubMed:Diurnal Variation of Essential of the Oil Components of Pycnocycla spinosa Decne. ex Boiss.

PubMed:Biochemical characterization of isovaleryl-CoA dehydrogenase (LiuA) of Pseudomonas aeruginosa and the importance of liu genes fora functional catabolic pathway of methyl-branched compounds.

PubMed:Biochemical characterization of AtuD from Pseudomonas aeruginosa, the first member of a new subgroup of acyl-CoA dehydrogenases with specificity for citronellyl-CoA.

Notes:

Blends well with orangeflower, rose, sandalwood and patchouli bases. Used in food flavouring

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citronellyl isovalerate 3,7-dimethyl-6-octen-1-yl 3-methylbutanoate

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citronellyl isovalerate
3,7-dimethyl-6-octen-1-yl 3-methylbutanoate