terpinyl valerate

flavor and fragrance agents

2D:
3D:
CAS Number:	14481-55-1
ECHA EC Number:	238-477-4
FDA UNII:	Search
CoE Number:	473
Category:	flavor and fragrance agents
IUPAC Name:	terpinyl valerate
InChI :	InChI=1/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3
Std.InChI:	InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3
InChIKey :	GIHNOWFSKYCHNL-UHFFFAOYAJ
Std.InChIKey:	GIHNOWFSKYCHNL-UHFFFAOYSA-N
SMILES :	CCCCC(=O)OC(C)(C)C1CCC(=CC1)C
Molar Refractivity :	70.47 ± 0.3 cm3 (est)
Parachor :	604.9 ± 6.0 cm3 (est)
Index of Refraction :	1.468 ± 0.02 (est)
Surface Tension :	32.4 ± 3.0 dyne/cm (est)
Density :	0.940 ± 0.06 g/cm3 (est)
Polarizability :	27.94 ± 0.5 10-24cm3 (est)

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

Google Scholar:	Search
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EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.94200 @ 25.00 °C.
Boiling Point:	295.00 to 296.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.002000 mmHg @ 25.00 °C. (est)
Flash Point:	195.00 °F. TCC ( 90.56 °C. )
logP (o/w):	5.264 (est)
Soluble in:
	alcohol
	water, 0.299 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
citronellyl isovalerate
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

Organoleptic Properties:

fruity floral apple bitter sweet fruity

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.

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 terpinyl valerate usage levels up to:
	8.0000 % in the fragrance concentrate.

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 :85741

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate

Chemidplus:0014481551

References:

	2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	85741
Pubchem (sid):	135044560
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):	HMDB32054
FooDB:	FDB008759
Export Tariff Code:	2915.60.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

For Odor

No odor group found for these

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-one
FL/FR

iso

prenyl acetate
FL/FR

aldehydic

methyl-4-hexyl oxybutyraldehyde
FR

anisic

ethyl para-anisate
FL/FR

balsamic

benzyl cinnamate
FL/FR

cinnamyl formate
FL/FR

terpinyl isovalerate
FL/FR

caramellic

maple furanone
FL/FR

shoyu furanone
FL/FR

chemical

iso

butyl formate
FL/FR

propyl propionate
FL/FR

citrus

(R)-

citronellyl nitrile
FR

citronitrile (Symrise)
FR

ethyl-1-hexanol
FL/FR

heptanol
FL/FR

ethereal

ethyl acetate
FL/FR

iso

propyl formate
FL/FR

fatty

butyl undecylenate
FL/FR

decen-2-one
FL/FR

ethyl octanoic acid
FL/FR

fermented

methyl decanoate
FL/FR

floral

acetal 318
FR

acetophenone
FL/FR

iso

amyl angelate
FL/FR

alpha-

amyl cinnamaldehyde
FL/FR

benzyl acetate
FL/FR

benzyl acetoacetate
FL/FR

benzyl formate
FL/FR

benzyl isobutyrate
FL/FR

blue lagoon fragrance
FR

(S)-

citronellyl acetate
FL/FR

citronellyl anthranilate
FL/FR

citronellyl butyrate
FL/FR

citronellyl hexanoate
FL/FR

citronellyl propionate
FL/FR

(E)-

citronellyl tiglate
FL/FR

cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR

cymbopogon validus leaf oil
FR

alpha-

damascone
FL/FR

gamma-

damascone
FR

dihydrojasmone
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

3,6-

dimethyl-3-octyl acetate
FR

ethyl anthranilate
FL/FR

ethyl ethyl anthranilate
FL/FR

eucalyptus macarthurii oil
FR

geraniol
FL/FR

geranyl isobutyrate
FL/FR

hibiscus fragrance
FR

ionone mixed isomers
FL/FR

jasmin cyclopentanone
FR

iso

jasmone
FL/FR

linalyl butyrate
FL/FR

magnolia flower oil CO2 extract
FL/FR

magnolia specialty
FR

menthadienyl formate
FR

ortho-

methoxybenzyl ethyl ether
FR

methoxymelonal
FL/FR

1-(2-

methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR

para-

methyl benzyl acetate
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

methyl citronellate
FL/FR

alpha-iso

methyl ionone (90% min.)
FL/FR

methyl ionyl acetate
FL/FR

pink

nelumbo nucifera flower absolute
FR

white

nelumbo nucifera flower absolute
FR

white

nelumbo nucifera flower concrete
FR

nonanon-1-yl acetate
FL/FR

orris rhizome concrete butter (iris pallida)
FL/FR

osmanthus absolute replacer
FR

osmanthus concrete
FL/FR

petitgrain lemon oil
FL/FR

petitgrain mandarin oil
FL/FR

phenethyl isobutyrate
FL/FR

phenethyl isovalerate
FL/FR

phenyl propyl butyrate
FL/FR

phenyl propyl isobutyrate
FL/FR

phenyl-3-buten-2-ol
FL/FR

iso

propyl benzoate
FL/FR

rhodinyl butyrate
FL/FR

rose oil (rosa damascena) russia
FL/FR

rose oil (rosa damascena) turkey
FL/FR

rose undecene
FR

souroubea specialty
FR

star fruit oil cuba
FL/FR

styralyl propionate
FL/FR

tetrahydroionyl acetate
FR

fruity

allyl benzoate
FR

amyl 2-methyl butyrate
FL/FR

amyl isobutyrate
FL/FR

amyl isovalerate
FL/FR

iso

amyl valerate
FL/FR

apple ketal
FL/FR

apricot essence
FL/FR

benzaldehyde / methyl anthranilate schiff's base
FR

benzyl isovalerate
FL/FR

benzyl propionate
FL/FR

benzyl valerate
FL/FR

berry hexanoate
FR

butyl 2-naphthyl ether
FL/FR

iso

butyl acetoacetate
FL/FR

iso

butyl anthranilate
FL/FR

iso

butyl furyl propionate
FL/FR

butyl isovalerate
FL/FR

iso

butyl isovalerate
FL/FR

citronellyl isobutyrate
FL/FR

cyclohexyl butyrate
FL/FR

cyclohexyl isovalerate
FL/FR

beta-

damascone
FL/FR

(E)-beta-

damascone
FL/FR

(Z)-beta-

damascone
FL/FR

(R)-gamma-

dodecalactone
FL/FR

eriocephalus punctulatus flower oil
FR

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

ethyl 3-hydroxyhexanoate
FL/FR

ethyl benzoyl acetate
FL/FR

ethyl butyrate
FL/FR

ethyl isovalerate
FL/FR

ethyl lactate
FL/FR

ethyl levulinate
FL/FR

ethyl propionate
FL/FR

(E,E)-

ethyl sorbate
FL/FR

ethyl valerate
FL/FR

fruity ketal
FL/FR

geranyl 2-methyl butyrate
FL/FR

geranyl isovalerate
FL/FR

ginsene
FR

heptyl isobutyrate
FL/FR

hexen-1-ol
FL/FR

(Z)-3-

hexen-1-yl isobutyrate
FL/FR

hexyl formate
FL/FR

linalool oxide acetates
FL/FR

linalyl isobutyrate
FL/FR

menthyl isovalerate
FL/FR

mercaptohexyl acetate
FL/FR

methyl (Z)-3-hexenoate
FL/FR

methyl anthranilate
FL/FR

methyl bicycloheptenyl methyloxirane carboxylate
FR

methyl butyrate
FL/FR

methyl heptanoate
FL/FR

methyl isobutyrate
FL/FR

methyl isovalerate
FL/FR

methyl valerate
FL/FR

(E)-7-

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

(±)-3-

methyl-gamma-decalactone
FL/FR

myrascone
FR

nonanone propylene glycol acetal
FL/FR

nonyl isovalerate
FL/FR

alpha-

ocimene
FL/FR

peach nitrile
FR

plum damascone (high alpha)
FR

iso

propyl 2-methyl butyrate
FL/FR

propyl butyrate
FL/FR

propyl heptanoate
FL/FR

propyl hexanoate
FL/FR

propyl isovalerate
FL/FR

iso

propyl isovalerate
FL/FR

iso

propyl octanoate
FL/FR

rhubarb pyran
FR

sambucus canadensis fruit absolute
FL/FR

strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR

strawberry glycidate 2
FL/FR

(R)-

styralyl acetate
FL/FR

4-(para-

tolyl)-2-butanone
FL/FR

tropical ionone
FL/FR

vanilla carboxylate
FL/FR

cis-

woody acetate
FR

green

iso

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

butyl heptanoate
FL/FR

(Z)-3-

hexen-1-yl acetate
FL/FR

(E)-2-

hexen-1-yl butyrate
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

(Z)-3-

hexenal diethyl acetal
FL/FR

hexoxyacetaldehyde dimethyl acetal
FR

hexyl 2-methyl butyrate
FL/FR

hexyl butyrate
FL/FR

hexyl isobutyrate
FL/FR

marigold pot flower
CS

octen-1-ol
FL/FR

(E)-2-

octen-1-ol
FL/FR

(E)-2-

pentenal
FL/FR

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

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

herbal

chamomile isobutyrate
FR

chamomile propionate
FR

chamomile valerate
FR

clary propyl acetate
FR

geranium cyclohexane
FR

methyl cyclogeranate (Firmenich)
FR

tagete oil madagascar
FL/FR

medicinal

ortho-

cresyl acetate
FL/FR

powdery

alpha-

methyl ionone
FL/FR

(E)-alpha-

methyl ionone (74-80%)
FL/FR

spicy

para-

anisyl formate
FL/FR

honey extract
CS

(E)-

propyl 2-furan acrylate
FL/FR

spicy acetoacetate
FL/FR

tropical

triflaige A (ZEON)
FR

waxy

dihydrocitronellyl acetate
FL/FR

ethyl decanoate
FL/FR

(E)-

methyl geranate
FL/FR

phytyl acetate
FL/FR

woody

For Flavor

No flavor group found for these

acetyl cyclohexyl acetate
FL

amyl 2-methyl butyrate
FL/FR

amyl angelate
FL

iso

amyl angelate
FL/FR

amyl isobutyrate
FL/FR

amyl isovalerate
FL/FR

benzyl valerate
FL/FR

butyl 2-naphthyl ether
FL/FR

butyl thiophene
FL

ortho-

cresyl acetate
FL/FR

cyclohexyl butyrate
FL/FR

2,4-

difurfuryl furan
FL

dihydrocitronellyl acetate
FL/FR

S-(2,5-

dimethyl-3-furyl) ethane thioate
FL

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-one
FL/FR

Potential Uses:

FR	apple
FR	apricot
FR	banana
FR	cypress oil replacer
FR	gooseberry
FR	grape
FR	pineapple
FR	plum
FR	raspberry
FR	strawberry
FR	tobacco
FR	woodruff

Occurrence (nature, food, other):

cypress mediterranean cypress oil
Search Trop Picture

Synonyms:

p-	menth-1-en-8-yl pentanoate
para-	menth-1-en-8-yl pentanoate
1-	methyl-1-(4-methyl cyclohex-3-enyl) ethyl valerate
1-	methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
2-(4-	methyl-1-cyclohex-3-enyl) propan-2-yl pentanoate
2-(4-	methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate
2-(4-	methyl-1-cyclohex-3-enyl)propan-2-ylpentanoate
2-(4-	methylcyclohex-3-en-1-yl)propan-2-yl valerate
	pentanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
	terpenyl pentanoate
	terpinyl valerianate
	valeric acid p-menth-1-en-8-yl ester
	valeric acid para-menth-1-en-8-yl ester
	valeric acid, p-menth-1-en-8-yl ester

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