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

nerolidyl acetate
1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, acetate

Supplier Sponsors

Name:[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
CAS Number: 2306-78-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-978-4
Nikkaji Web:J213.179J
XlogP3-AA:5.20 (est)
Molecular Weight:264.40856000
Formula:C17 H28 O2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(Z)-nerolidyl acetate
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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 280.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.000127 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 5.868 (est)
Soluble in:
 alcohol
 water, 0.03852 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:low
Substantivity:272 hour(s) at 100.00 %
fresh sweet citrus waxy freesia woody
Odor Description:at 100.00 %. fresh sweet citrus waxy freesia woody
Luebke, William tgsc, (1988)
Odor sample from: Bedoukian Research, Inc.
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
NEROLIDYL ACETATE ≥92.0% (sum of isomers), Kosher
Odor Description:A subtle woody, lemon drop odor
For a subtle sour lemon topnote in fragrances.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
NEROLIDYL ACETATE
≥92.0% (sum of isomers), Kosher
Odor: A subtle woody, lemon drop odor
Use: For a subtle sour lemon topnote in fragrances.
BOC Sciences
For experimental / research use only.
Nerolidyl Acetate
 
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.
Human Experience:
12% in petrolatum produced no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
For a subtle sour lemon topnote in fragrances.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
For a subtle sour lemon topnote in fragrances.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for nerolidyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):2306-78-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5363426
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
Chemidplus:0002306787
 
References:
 [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2306-78-7
Pubchem (cid):5363426
Pubchem (sid):135057319
 
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):HMDB39630
FooDB:FDB019258
Export Tariff Code:2915.39.9500
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
aldehydic
aldehydic
decanal (aldehyde C-10)
FL/FR
mandarine undecenal
FL/FR
octanal (aldehyde C-8)
FL/FR
TMH aldehyde
FR
(Z)-8-
undecenal
FR
citronella
4,8-
dimethyl-7-nonen-2-ol
FR
citrus
acetaldehyde citronellyl methyl acetal
FR
aldenal C-10
FR
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
beta-
bisabolol
FL/FR
citral diethyl acetal
FL/FR
citrus floral green fragrance
FR
citrus ocimenol
FR
citrus specialty
FR
dihydromyrcenol
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
2-
dodecanone
FL/FR
2-
ethyl-1-hexanol
FL/FR
citrus
floral fragrance
FR
lime octadienal
FR
lime oil distilled mexico
FL/FR
mandarin oil
FL/FR
mandarin oil italy
FL/FR
2-
methyl decanal (aldehyde C-11 MOA)
FL/FR
3-
methyl-4-(2-methyl butyl oxy) butyraldehyde
FR
myrcenyl acetate
FL/FR
nonanal dimethyl acetal
FL/FR
petitgrain combava oil
FR
(E)-2-
tetradecenal
FL/FR
2-
tetradecenal
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
10-
undecen-1-ol
FL/FR
verbena fragrance
FR
waxy nitrile
FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
3-
octanol
FL/FR
fatty
(E,E)-2,4-
decadien-1-ol
FL/FR
2,4-
decadien-1-ol
FL/FR
floral
bois de rose oil brazil
FL/FR
4-tert-
butyl cyclohexane carboxaldehyde
FR
citronellyl acetate
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
gardenia acetal
FR
geraniol
FL/FR
geranyl anthranilate
FR
geranyl phenyl acetate
FL/FR
alpha-
ionone
FL/FR
beta-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
linaloe wood oil mexico
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
muguet nitrile
FR
beta-
naphthyl anthranilate
FL/FR
beta-
naphthyl methyl ketone
FL/FR
nerol
FL/FR
neroli oil tunisia
FL/FR
nerolidol
FL/FR
bitter
orangeflower concrete morocco
FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
palmarosa oil
FL/FR
peony acetonitrile
FR
petitgrain cedrat oil
FL/FR
petitgrain concrete
FR
petitgrain lemon oil
FL/FR
petitgrain oil morocco
FL/FR
iso
propyl anthranilate
FL/FR
rose concrete (rosa centifolia)
FR
styralyl formate
FL/FR
tetrahydrolinalyl acetate
FR
undecanal dimethyl acetal
FR
vetiver pentanone
FR
fruity
iso
butyl furyl propionate
FL/FR
cyclohexyl anthranilate
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
tropical ionone
FL/FR
(E)-2-
undecenal
FL/FR
green
green carbaldehyde
FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
herbal
dihydroterpinyl acetate
FL/FR
freesia heptanol
FL/FR
cis-
herbal cyclohexane
FR
alpha-
terpinyl acetate
FL/FR
powdery
(E)-alpha-
methyl ionone (50-60%)
FL/FR
terpenic
(E,E)-2,6-allo
ocimene
FL/FR
waxy
aldenal C-9
FR
decanal dimethyl acetal
FL/FR
1-
undecanol
FL/FR
woody
sandal octanol
FR
For Flavor
No flavor group found for these
decanal dimethyl acetal
FL/FR
dihydroterpinyl acetate
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
mandarine undecenal
FL/FR
(E)-beta-
methyl ionone
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E,E)-2,6-allo
ocimene
FL/FR
iso
propyl anthranilate
FL/FR
styralyl formate
FL/FR
2-
tetradecenal
FL/FR
10-
undecen-1-ol
FL/FR
iso
butyl furyl propionate
FL/FR
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
1-
undecanol
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
beta-
bisabolol
FL/FR
citral diethyl acetal
FL/FR
freesia heptanol
FL/FR
lime oil distilled mexico
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
mandarin oil
FL/FR
mandarin oil italy
FL/FR
2-
methyl decanal (aldehyde C-11 MOA)
FL/FR
myrcenyl acetate
FL/FR
nerol
FL/FR
neroli oil tunisia
FL/FR
petitgrain cedrat oil
FL/FR
petitgrain lemon oil
FL/FR
petitgrain oil morocco
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
fatty
2,4-
decadien-1-ol
FL/FR
(E,E)-2,4-
decadien-1-ol
FL/FR
2-
dodecanone
FL/FR
2-
ethyl-1-hexanol
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
geraniol
FL/FR
geranyl phenyl acetate
FL/FR
pseudo
ionone
FL
alpha-
ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
beta-
naphthyl methyl ketone
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
tropical ionone
FL/FR
fruity
cyclohexyl anthranilate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
beta-
naphthyl anthranilate
FL/FR
grassy
palmarosa oil
FL/FR
green
dihydromyrcenol
FL/FR
(E,E)-2,4-
hexadienal
FL
linalool oxide
FL/FR
nerolidol
FL/FR
nonanal dimethyl acetal
FL/FR
iso
phorone
FL
musty
3-
octanol
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
waxy
decanal (aldehyde C-10)
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
(E)-2-
tetradecenal
FL/FR
(E)-2-
undecenal
FL/FR
woody
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
alpha-
terpinyl acetate
FL/FR
 
Potential Uses:
FRcitrus
FRclary sage oil replacer
FRlemon
FRlily of the valley
FRneroli
FRorange blossom
FRoriental
FRsandalwood
FRtea green tea
FRwoody
 
Occurrence (nature, food, other):note
 campomanesia aurea leaf oil brazil @ 6.70%
Data GC Search Trop Picture
 geranium rose-scented oil (pelargonium spp.) cuba @ 0.40%
Data GC Search Trop Picture
 geranium rose-scented oil (pelargonium spp.) cuba @ 0.90%
Data GC Search Trop Picture
 ginger root oil CO2 extract @ 2.21%
Data GC Search Trop Picture
 persea americana mill. fruit oil cuba @ 3.80%
Data GC Search Trop Picture
 sage clary sage
Search Trop Picture
 
Synonyms:
1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, acetate
 nerolidol acetate
3,7,11-trimethyl dodeca-1,6,10-trien-3-yl acetate
 trimethyl dodecatrien-3-yl acetate
3,7,11-trimethyl-1,6,10-dodecatrien-3-yl acetate
3,7,11-trimethyldodeca-1,6,10-trien-3-yl acetate
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
 

Articles:

PubMed:Chemical composition of essential oils from four Vietnamese species of piper (piperaceae).
J-Stage:Characterization of Essential Oil from Citrus aurantium L. Flowers: Antimicrobial and Antioxidant Activities
PubMed:A new source of elemol rich essential oil and existence of multicellular oil glands in leaves of the Dioscorea species.
PubMed:Chemical composition and in vitro antimicrobial and antioxidant activities of Citrus aurantium l. flowers essential oil (Neroli oil).
PubMed:Characterization of essential oil from Citrus aurantium L. flowers: antimicrobial and antioxidant activities.
PubMed:Steps in the biosynthesis of fuscumol in the longhorn beetles Tetropium fuscum (F.) and Tetropium cinnamopterum Kirby.
PubMed:Antibacterial/antifungal activity and synergistic interactions between polyprenols and other lipids isolated from Ginkgo biloba L. leaves.
PubMed:Volatile oil constituents of different parts of Artemisia chamaemelifolia and the composition and antibacterial activity of the aerial parts of A. turcomanica from Iran.
PubMed:Analysis of the essential oil of large cardamom (Amomum subulatum Roxb.) growing in different agro-climatic zones of Himachal Pradesh, India.
PubMed:Volatiles from apple trees infested with light brown apple moth larvae attract the parasitoid Dolichogenidia tasmanica.
PubMed:Chemical composition and antioxidant and anticandidal activities of essential oils from different wild Moroccan Thymus species.
PubMed:Chemical diversity of essential oils from Asteriscus graveolens (Forssk.) less.: identification of cis-8-Acetoxychrysanthenyl acetate as a new natural component.
PubMed:Composition of seed essential oils of Rhododendron tomentosum.
PubMed:Essential oil composition of three Australian endemic species of Darwinia (Myrtaceae).
PubMed:Volatile emissions from Alnus glutionosa induced by herbivory are quantitatively related to the extent of damage.
PubMed:Pharmacological interactions of essential oil constituents on the viability of micro-organisms.
PubMed:Volatile constituents of two rare subspecies of Thymus praecox.
PubMed:Hydrophobic constituents and their potential anticancer activities from Devil's Club (Oplopanax horridus Miq.).
PubMed:Quantitative analysis of six polyynes and one polyene in Oplopanax horridus and Oplopanax elatus by pressurized liquid extraction and on-line SPE-HPLC.
PubMed:Essential-oil composition, antileishmanial, and toxicity study of Artemisia abyssinica and Satureja punctata ssp. punctata from Ethiopia.
PubMed:The tea weevil, Myllocerinus aurolineatus, is attracted to volatiles induced by conspecifics.
PubMed:Attraction of New Zealand flower thrips, Thrips obscuratus, to cis-jasmone, a volatile identified from Japanese honeysuckle flowers.
PubMed:Quantification approach for assessment of sparkling wine volatiles from different soils, ripening stages, and varieties by stir bar sorptive extraction with liquid desorption.
PubMed:Phenology of semiochemical-mediated host foraging by the western boxelder bug, Boisea rubrolineata, an aposematic seed predator.
PubMed:Essential Oil Composition and Antibacterial Studies of Vitex negundo Linn. Extracts.
PubMed:The influence of different nutrient levels on insect-induced plant volatiles in Bt and conventional oilseed rape plants.
PubMed:Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain.
PubMed:Anti-inflammation activities of essential oil and its constituents from indigenous cinnamon (Cinnamomum osmophloeum) twigs.
PubMed:Expression of plant flavor genes in Lactococcus lactis.
PubMed:Bioavailability of nerodilol-based transdermal therapeutic system of nicorandil in human volunteers.
PubMed:Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis.
PubMed:Volatile organic compounds as signals in a plant-herbivore system: electrophysiological responses in olfactory sensilla of the moth Cactoblastis cactorum.
PubMed:Gain and loss of fruit flavor compounds produced by wild and cultivated strawberry species.
PubMed:Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation.
PubMed:Electroantennographic and behavioral responses of the sphinx moth Manduca sexta to host plant headspace volatiles.
PubMed:[Study on the chemical constituents of the volatile oil from Lysimachia trientaloides Hemsl].
PubMed:Characterization of the odor-active volatiles in citrus Hyuganatsu (Citrus tamurana Hort. ex Tanaka).
PubMed:Chemical and biological studies on two Helichrysum species of Greek origin.
PubMed:Isolation and identification of allelochemicals that attract the larval parasitoid,Cotesia marginiventris (Cresson), to the microhabitat of one of its hosts.
PubMed:Cell-cycle-dependent, differential prenylation of proteins.
PubMed:Pendolmycin, a new tumor promoter of the teleocidin A class on skin of CD-1 mice.
PubMed:(Z,E)-α-farnesene: Major component of secretion from metathoracic scent gland of cotton seed bug,Oxycarenus hyalinipennis (Costa) (Heteroptera; Lygaeidae).
PubMed:The essential oil from Thymus praecox ssp. arcticus growing in Iceland.
PubMed:Effects of vitamin A and ascorbic acid on in vitro cholesterol biosynthesis in the rat.
PubMed:Volatile constituents of Trichothecium roseum.
 
Notes:
Found in clary sage oil
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