acorn acetate
herbacet no.1 (IFF)
 
Notes:
None found
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(1-ethynylcyclohexyl) acetate (Click)
CAS Number: 5240-32-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 226-040-0
Nikkaji Web: J55.432D
Beilstein Number: 2045236
XlogP3-AA: 1.80 (est)
Molecular Weight: 166.21998000
Formula: C10 H14 O2
BioActivity Summary: listing
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
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Pubchem Patents: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.00100 to 1.00900 @  25.00 °C.
Pounds per Gallon - (est).: 8.329 to  8.396
Specific Gravity: 1.00200 to 1.01000 @  20.00 °C.
Pounds per Gallon - est.: 8.347 to 8.414
Refractive Index: 1.46300 to 1.46800 @  20.00 °C.
Boiling Point: 201.00 to  202.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.303000 mm/Hg @ 25.00 °C. (est)
Flash Point: 179.00 °F. TCC ( 81.67 °C. )
logP (o/w): 2.180 (est)
Soluble in:
 alcohol
 water, 252.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 natural  acorn  dry  hay  woody  immortelle  herbal  
Odor Description:
at 100.00 %. 
natural acorn dry oak leaves hay woody immortelle herbal
Luebke, William tgsc, (1995)
Substantivity: 72 Hour(s)
  
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Cosmetic Information:
None found
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Suppliers:
IFF
Herbacet
Odor: Powerful, natural fresh woody tone with hay and honey, immortelle aspects
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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:
intravenous-mouse LD50  56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05135

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for acorn acetate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for acorn acetate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 5240-32-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 78903
National Institute of Allergy and Infectious Diseases: Data
 (1-ethynylcyclohexyl) acetate
Chemidplus: 0005240324
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References:
 (1-ethynylcyclohexyl) acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5240-32-4
Pubchem (cid): 78903
Pubchem (sid): 135034212
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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): Search
Export Tariff Code: 2915.39.9050
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
isobutyl quinolineFR
para-cresyl caprylateFL/FR
balsamic
1-benzoyl acetoneFL/FR
 guaieneFL/FR
camphoreous
 fencholFL/FR
caramellic
 geranyl crotonateFR
 immortelle absoluteFL/FR
cereal
 bran absoluteFR
citrus
 verbena absolute franceFL/FR
clean
 amerinalFR
coconut
gamma-heptalactoneFL/FR
coumarinic
 coumaneFL/FR
 tonka furanoneFL/FR
earthy
2-octanoneFL/FR
3-octen-2-oneFL/FR
ethereal
 acetaldehyde dimethyl acetalFL/FR
floral
isoamyl geranateFR
 anise indeneFR
para-anisyl nitrileFR
 autumn carboxylateFR
 boronia butenalFR
 cassis specialtyFR
 floral undecenoneFR
 genet concreteFR
(Z)-jasmoneFL/FR
 ocean propanalFL/FR
 petitgrain bigarade oilFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 cherry oxyacetateFL/FR
 leather propionateFR
 methyl nonane dioneFL/FR
 phenoxyethyl propionateFL/FR
green
isocyclocitral (IFF)FL/FR
para-dimethyl hydroquinoneFL/FR
 magnolia flower oilFL/FR
para-methyl hydratropaldehydeFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
3,5,5-trimethyl hexanolFL/FR
hay
 beeswax absoluteFL/FR
 hay absoluteFR
para-methyl phenoxyacetaldehydeFR
 tobacco leaf absoluteFL/FR
 woodruff absoluteFR
herbal
delta-cadinene 
 clary sage absoluteFL/FR
 dimethyl cyclormol (IFF)FR
 herbal careneFR
laevo-beta-pineneFL/FR
beta-pineneFL/FR
 thyme oil wild or creepingFL/FR
 yerba mate absoluteFL/FR
marine
green algae absoluteFL/FR
mossy
 oakmoss phenolFR
 treemoss absoluteFR
 veramoss (IFF)FR
nutty
2-acetyl-5-methyl furanFL/FR
1,2-cyclohexane dioneFL/FR
 cinnamon acroleinFL/FR
 levisticum officinale root oilFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
terpenic
D-(+)-beta-pineneFL/FR
thujonic
 woody ketoneFL/FR
 woody ketoneFL/FR
tobacco
3-ethyl pyridineFL/FR
(E,E/E,Z)-tobacco cyclohexenoneFL/FR
tonka
 coumarinFR
 flouve absoluteFR
 saffron resinoidFL/FR
tropical
 genet absoluteFL/FR
woody
 amber pentadecaneFR
 bornyl valerateFL/FR
alpha-cadinene 
 campheneFL/FR
beta-caryophyllene alcohol acetateFL/FR
epoxidized cedarwood oilFR
 cedrol methyl etherFR
 cistus twig/leaf oilFL/FR
2-decalinyl formateFR
 guaiacyl acetateFL/FR
 marine formateFR
delta-methyl iononeFL/FR
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
 spruce needle oil canadaFL/FR
 timber propanolFR
 woody carboxylateFR
 woody epoxideFR
 woody etherFR
 woody etherFR
 woody propanolFR
 woody propanolFR
 
For Flavor
 
No flavor group found for these
green algae absoluteFL/FR
1-benzoyl acetoneFL/FR
alpha-cadinene 
delta-cadinene 
 capsicum oleoresinFL
beta-caryophyllene alcohol acetateFL/FR
 cistus twig/leaf oilFL/FR
 coumaneFL/FR
para-cresyl caprylateFL/FR
isocyclocitral (IFF)FL/FR
1,2-cyclohexane dioneFL/FR
 guaieneFL/FR
 magnolia flower oilFL/FR
delta-methyl iononeFL/FR
 methyl nonane dioneFL/FR
1-methyl pyrroleFL
 origanum vulgare ssp. vulgare oil himalaya 
D-(+)-beta-pineneFL/FR
laevo-beta-pineneFL/FR
 polylimoneneFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
(E,E/E,Z)-tobacco cyclohexenoneFL/FR
 tonka furanoneFL/FR
 woody ketoneFL/FR
 woody ketoneFL/FR
anise
para-dimethyl hydroquinoneFL/FR
bitter
 tobacco leaf absoluteFL/FR
brown
 beeswax absoluteFL/FR
camphoreous
 campheneFL/FR
 fencholFL/FR
caramellic
3-ethyl pyridineFL/FR
citrus
 petitgrain bigarade oilFL/FR
 verbena absolute franceFL/FR
creamy
3-octen-2-oneFL/FR
dairy
2-octanoneFL/FR
ethereal
 acetaldehyde dimethyl acetalFL/FR
floral
 ocean propanalFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 cherry oxyacetateFL/FR
green
 clary sage absoluteFL/FR
 immortelle absoluteFL/FR
para-methyl hydratropaldehydeFL/FR
3,5,5-trimethyl hexanolFL/FR
hay
 genet absoluteFL/FR
herbal
 thyme oil wild or creepingFL/FR
 yerba mate absoluteFL/FR
lactonic
gamma-heptalactoneFL/FR
nutty
2-acetyl-5-methyl furanFL/FR
pine
beta-pineneFL/FR
spicy
 cinnamon acroleinFL/FR
 jalapeno oleoresinFL
 levisticum officinale root oilFL/FR
sweet
 saffron resinoidFL/FR
waxy
 phenoxyethyl propionateFL/FR
woody
 bornyl valerateFL/FR
 guaiacyl acetateFL/FR
(Z)-jasmoneFL/FR
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 acorn 
 castoreumFR
 chamomileFR
 hay new mown hay foin coupeFR
 herbalFR
 honey mielFR
 immortelle helichrysum everlastingFL/FR
 lavenderFR
 autumnFR
 muguet lily of the valleyFR
 ocean sea 
 ocean sea shore 
 pineFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1-acetoxy-1-ethynyl cyclohexane
1-acetoxy-1-ethynylcyclohexane
 cyclohexanol, 1-ethynyl-, 1-acetate
 cyclohexanol, 1-ethynyl-, acetate
 cyclohexanol,1-ethynyl-,acetate
1-ethynyl cyclohexanol acetate
1-ethynyl cyclohexyl acetate
(1-ethynyl cyclohexyl) acetate
1-ethynylcyclohexanol acetate
1-ethynylcyclohexyl acetate
(1-ethynylcyclohexyl) acetate
 herbacet (IFF)
 herbacet no.1 (IFF)
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Articles:
 None found yet.
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