EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

nerolidyl isobutyrate
3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester

Sponsors

Name:[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CAS Number: 2639-68-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:220-138-7
Nikkaji Web:J192.162B
XlogP3-AA:6.20 (est)
Molecular Weight:292.46244000
Formula:C19 H32 O2
NMR Predictor:Predict (works with chrome 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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 94.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.88500 to 0.89500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.364 to 7.447
Refractive Index:1.45800 to 1.46800 @ 20.00 °C.
Boiling Point: 115.00 °C. @ 0.50 mm Hg
Boiling Point: 361.00 to 362.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000020 mm/Hg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 6.747 (est)
Soluble in:
 alcohol
 water, 0.004459 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity green oily bergamot pear woody
Odor Description:at 100.00 %. fruity green oily bergamot pear woody
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
NEROLIDYL ISOBUTYRATE
Odor Description:A fruity woody bergamot/pear odor
Used in bergamot and fruity fragrances.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
NEROLIDYL ISOBUTYRATE
Odor: A fruity woody bergamot/pear odor
Use: Used in bergamot and fruity fragrances.
BOC Sciences
For experimental / research use only.
Propanoic acid 2-methyl-1-ethenyl-1,5,9-trimethyl-4,8-decadienyl ester
 
Safety Information:
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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
Recommendation for nerolidyl isobutyrate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for nerolidyl isobutyrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):2639-68-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5363453
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
Chemidplus:0002639681
 
References:
 [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5363453
Pubchem (sid):135057320
 
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):Search
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
fir carboxylate
FR
hexyl cinnamate
FR
citrus
bergamot acetoacetate
FR
(R)-
citronellyl nitrile
FR
citrus specialty
FR
dihydromyrcenyl acetate
FR
alpha-
methylene citronellal
FR
neroli ketone
FR
fatty
hexyl pivalate
FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
cassis cyclohexene
FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
ethyl linalool
FR
gardenia pentyl acetate
FR
herbal pyran
FR
jasmin cyclopentanol
FR
jasmopyrane (Givaudan)
FR
(2-
methoxy-1-methyl propyl) benzene
FR
tetrahydrolinalyl acetate
FR
tilia cordata flower oil CO2 extract
FR
fruity
allyl amyl glycolate
FR
3-
allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR
apple crotonate
FR
3-
butyl bicyclo[3.2.1]-6-octen-2-one
FR
1,4-
dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR
ethyl (E)-4-octenoate
FR
ethyl 2-cyclohexyl propionate
FR
ethyl 3,5,5-trimethyl hexanoate
FR
endo-
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FR
fig crotonate
FR
fruity butanate
FR
heptanal cyclic ethylene acetal
FR
heptyl valerate
FR
2-
hexenyl cyclopentanyl acetate
FR
(Z)-6-
nonen-1-al dimethyl acetal
FR
ocimen-1-yl acetate
FR
pear valerate
FR
rhubarb undecane
FR
tropical indene
FR
tropical specialty
FR
green
acetaldehyde methyl hexyl acetal
FR
actinidia chinensis fruit water
FR
allyl phenethyl ether
FR
bergoxane
FR
fresh nitrile
FR
galbanum specialty
FR
green dioxolane
FR
herbal cyclohexane
FR
(E)-2-
hexen-1-yl salicylate
FR
(Z)-3-
hexenyl methyl ether
FR
2-(2-
methyl allyl oxy) heptane
FR
neogall
FR
privet dioxane
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
violet decenol
FR
violet dienyne
FR
herbal
bergamot mint herb oil
FR
bornyl salicylate
FR
6-
methoxy-2,6-dimethyl octanal
FR
tricyclo(5.2.1.02,6)dec-3-enyl acetate
FR
tricyclodecyl acetate
FR
musk
musk propanoate
FR
spicy
iso
cyclogeraniol (IFF)
FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
woody
abies grandis oil canada
FR
louro brasileiro wood oil
FR
verdoxan
FR
For Flavor
 
Potential Uses:
FRaldehydic
FRbergamot
FRfloral
FRfruit
FRgreen
FRpear
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-methyl propanoic acid 1-ethenyl-1,5,9-trimethyl-4,8-decadienyl ester
 nerolidol isobutyrate
 propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadienylester
1,5,9-trimethyl-1-vinyl deca-4,8-dienyl isobutyrate
1,5,9-trimethyl-1-vinyldeca-4,8-dienyl isobutyrate
3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester
3,7,11-trimethyl-1,6,10-dodecatrien-3-yl isobutyrate
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
 

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