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

acorn acetate
herbacet no.1 (IFF)

Supplier Sponsors

Name:(1-ethynylcyclohexyl) acetate
CAS Number: 5240-32-4Picture of molecule3D/inchi
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
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: 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
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
Substantivity:72 hour(s) at 100.00 %
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)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
IFF
Herbacet
Odor Description:Powerful, natural fresh woody tone with hay and honey, immortelle aspects
 
Cosmetic Information:
None found
 
Suppliers:
IFF
Herbacet
Odor: Powerful, natural fresh woody tone with hay and honey, immortelle aspects
M&U International
Herbacet #1
 
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
 
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.
 
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
 
References:
 (1-ethynylcyclohexyl) acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5240-32-4
Pubchem (cid):78903
Pubchem (sid):135034212
 
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
 
Potential Blenders and core components note
For Odor
animal
iso
butyl quinoline
FR
para-
cresyl caprylate
FL/FR
balsamic
1-
benzoyl acetone
FL/FR
camphoreous
fenchol
FL/FR
caramellic
geranyl crotonate
FR
immortelle absolute
FL/FR
cereal
bran absolute
FR
citrus
verbena absolute france
FL/FR
clean
amerinal
FR
coconut
gamma-
heptalactone
FL/FR
coumarinic
coumane
FL/FR
tonka furanone
FL/FR
earthy
2-
octanone
FL/FR
3-
octen-2-one
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
floral
iso
amyl geranate
FR
anise indene
FR
para-
anisyl nitrile
FR
autumn carboxylate
FR
boronia butenal
FR
cassis specialty
FR
floral undecenone
FR
genet concrete
FR
(Z)-
jasmone
FL/FR
ocean propanal
FL/FR
petitgrain bigarade oil
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
cherry oxyacetate
FL/FR
leather propionate
FR
methyl nonane dione
FL/FR
phenoxyethyl propionate
FL/FR
green
iso
cyclocitral (IFF)
FL/FR
para-
dimethyl hydroquinone
FL/FR
magnolia flower oil
FL/FR
para-
methyl hydratropaldehyde
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
hay
beeswax absolute
FL/FR
hay absolute
FR
para-
methyl phenoxyacetaldehyde
FR
tobacco leaf absolute
FL/FR
woodruff absolute
FR
herbal
clary sage absolute
FL/FR
dimethyl cyclormol (IFF)
FR
herbal carene
FR
laevo-beta-
pinene
FL/FR
beta-
pinene
FL/FR
thyme oil wild or creeping
FL/FR
yerba mate absolute
FL/FR
leathery
4-tert-
butyl phenol
CS
marine
green
algae absolute
FL/FR
mossy
oakmoss phenol
FR
treemoss absolute
FR
veramoss (IFF)
FR
nutty
2-
acetyl-5-methyl furan
FL/FR
1,2-
cyclohexane dione
FL/FR
spicy
cinnamon acrolein
FL/FR
levisticum officinale root oil
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
terpenic
D-(+)-beta-
pinene
FL/FR
thujonic
woody ketone
FL/FR
tobacco
3-
ethyl pyridine
FL/FR
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
tonka
coumarin
FR
flouve absolute
FR
saffron resinoid
FL/FR
tropical
genet absolute
FL/FR
woody
amber pentadecane
FR
bornyl valerate
FL/FR
camphene
FL/FR
beta-
caryophyllene alcohol acetate
FL/FR
epoxidized
cedarwood oil
FR
cedrol methyl ether
FR
cistus twig/leaf oil
FL/FR
2-
decalinyl formate
FR
guaiacyl acetate
FL/FR
guaiene
FL/FR
marine formate
FR
delta-
methyl ionone
FL/FR
polylimonene
FL/FR
spruce needle oil canada
FL/FR
timber propanol
FR
woody carboxylate
FR
woody epoxide
FR
woody ether
FR
woody propanol
FR
For Flavor
No flavor group found for these
green
algae absolute
FL/FR
1-
benzoyl acetone
FL/FR
capsicum oleoresin
FL
beta-
caryophyllene alcohol acetate
FL/FR
coumane
FL/FR
1,2-
cyclohexane dione
FL/FR
magnolia flower oil
FL/FR
delta-
methyl ionone
FL/FR
methyl nonane dione
FL/FR
1-
methyl pyrrole
FL
D-(+)-beta-
pinene
FL/FR
laevo-beta-
pinene
FL/FR
polylimonene
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
tonka furanone
FL/FR
woody ketone
FL/FR
animal
animal
para-
cresyl caprylate
FL/FR
brown
beeswax absolute
FL/FR
camphoreous
camphene
FL/FR
fenchol
FL/FR
caramellic
3-
ethyl pyridine
FL/FR
citrus
petitgrain bigarade oil
FL/FR
verbena absolute france
FL/FR
creamy
3-
octen-2-one
FL/FR
dairy
2-
octanone
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
floral
ocean propanal
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
cherry oxyacetate
FL/FR
grassy
tobacco leaf absolute
FL/FR
green
clary sage absolute
FL/FR
iso
cyclocitral (IFF)
FL/FR
para-
dimethyl hydroquinone
FL/FR
immortelle absolute
FL/FR
para-
methyl hydratropaldehyde
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
hay
genet absolute
FL/FR
herbal
thyme oil wild or creeping
FL/FR
yerba mate absolute
FL/FR
lactonic
gamma-
heptalactone
FL/FR
nutty
2-
acetyl-5-methyl furan
FL/FR
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
pine
beta-
pinene
FL/FR
spicy
cinnamon acrolein
FL/FR
jalapeno oleoresin
FL
levisticum officinale root oil
FL/FR
sweet
saffron resinoid
FL/FR
waxy
phenoxyethyl propionate
FL/FR
woody
bornyl valerate
FL/FR
cistus twig/leaf oil
FL/FR
guaiacyl acetate
FL/FR
guaiene
FL/FR
(Z)-
jasmone
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
FRacorn
FRautumn
FRcastoreum
FRchamomile
FRhay new mown hay
FRherbal
FRhoney
FL/FRimmortelle
FRlavender
FRlily of the valley
 ocean sea
 ocean sea shore
FRpine
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
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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