terpinyl valerate
pentanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
 
Notes:
Prob. a flavouring agent
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2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate (Click)
CAS Number: 14481-55-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 238-477-4
Nikkaji Web: J217.032I
CoE Number: 473
XlogP3-AA: 3.80 (est)
Molecular Weight: 238.37062000
Formula: C15 H26 O2
NMR Predictor: Predict (works with chrome 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
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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 mm/Hg @ 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
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 fruity  floral  
Odor Description:
at 100.00 %. 
fruity floral
 apple  bitter  sweet  fruity  
Taste Description:
apple bitter sweet
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for terpinyl valerate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
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
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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
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
isoprenyl acetateFL/FR
 zinc chelate of L-lysinate HCl 
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
citrus
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
3-decen-2-oneFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl citronellateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rose undeceneFR
 star fruit oil cubaFL/FR
 tetrahydroionyl acetateFR
fruity
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 berry hexanoateFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
isobutyl isovalerateFL/FR
 butyl isovalerateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
 heptyl isobutyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl butyrateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 nonyl isovalerateFL/FR
 propyl heptanoateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
 rhubarb pyranFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 butyl heptanoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 methyl cyclogeranateFR
powdery
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
waxy
 ethyl decanoateFL/FR
woody
2-decalinyl acetateFR
 marine formateFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl 2-methyl butyrateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 apple ketalFL/FR
isobutyl isovalerateFL/FR
2-butyl thiopheneFL
 cinnamyl formateFL/FR
 cyclohexyl butyrateFL/FR
(Z)-beta-damasconeFL/FR
2,4-difurfuryl furanFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 heptyl 2-methyl butyrateFL
(Z)-3-hexenal diethyl acetalFL/FR
(E)-2-hexenal dimethyl acetalFL
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
3-nonanon-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
isoprenyl acetateFL/FR
isopropyl benzoateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 zinc chelate of L-lysinate HCl 
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain lemon oilFL/FR
coconut
 butyl heptanoateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 butyl undecylenateFL/FR
3-decen-2-oneFL/FR
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 benzyl acetoacetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 geraniolFL/FR
 methyl citronellateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
isoamyl valerateFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 butyl isovalerateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl isovalerateFL/FR
alpha-damasconeFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl valerateFL/FR
2-heptanolFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 star fruit oil cubaFL/FR
4-(para-tolyl)-2-butanoneFL/FR
fusel
 methyl butyrateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
honey
 phenethyl isobutyrateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 ethyl decanoateFL/FR
alpha-methyl iononeFL/FR
4-phenyl-3-buten-2-olFL/FR
 propyl heptanoateFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 appleFR
 apricotFR
 bananaFR
 cypressFR
 gooseberryFR
 grapeFR
 pineappleFR
 plumFR
 raspberryFR
 strawberryFR
 tobaccoFR
 woodruff asperulaFR
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Occurrence (nature, food, other): note
 cypress mediterranean cypress oil
Search Trop  Picture
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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
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Articles:
 None found yet.
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