tetrahydroionyl acetate
cyclohexanepropanol, a,2,2,6-tetramethyl-, acetate
 
Notes:
None found
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CAS Number: 68555-59-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 271-435-3
Nikkaji Web: J309.196A
XlogP3-AA: 4.90 (est)
Molecular Weight: 240.38656000
Formula: C15 H28 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.92000 to 0.93000 @  25.00 °C.
Pounds per Gallon - (est).: 7.655 to  7.739
Refractive Index: 1.45300 to 1.46300 @  20.00 °C.
Boiling Point: 85.00 °C. @ 2.00 mm Hg
Boiling Point: 268.00 to  269.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 5.582 (est)
Soluble in:
 alcohol
 water, 0.2849 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 fruity  floral  berry  
Odor Description:
at 100.00 %. 		fruity floral berry
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
TETRAHYDROIONYL ACETATE ≥90.0%, Kosher
Odor Description: A fruity, floral berry like odor
Used for an intense floral berry note.
 
 
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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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for tetrahydroionyl acetate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for tetrahydroionyl acetate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 68555-59-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 109468
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
Chemidplus: 0068555599
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References:
 4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 109468
Pubchem (sid): 135064766
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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: 2915.39.9500
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
(E)-5-nonen-2-oneFL/FR
isoprenyl acetateFL/FR
acidic
2-ethyl butyric acidFL/FR
2-methyl-2-pentenoic acidFL/FR
aldehydic
3-methyl-4-hexyl oxybutyraldehydeFR
alliaceous
 methyl furfuryl disulfideFL/FR
amber
 ambrette seed absoluteFL/FR
anisic
para-anisyl propanalFR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 conifer acetateFR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
 methyl (E)-cinnamateFL/FR
 methyl cinnamateFL/FR
berry
sec-butyl ethyl etherFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
camphoreous
alpha-campholenic alcoholFL/FR
caramellic
 ethyl maltolFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 strawberry furanoneFL/FR
citrus
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
2-heptanolFL/FR
earthy
3-octen-2-oneFL/FR
ethereal
 propyl formateFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
 valeraldehydeFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cyclohexyl ethyl acetateFL/FR
 cymbopogon validus leaf oilFR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
3,6-dimethyl-3-octyl acetateFR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl ortho-anisateFL/FR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 hibiscus fragranceFR
 hibiscus sabdariffa flower extractFL/FR
 hyacinth etherFR
beta-iononeFL/FR
 ionone mixed isomersFL/FR
beta-ionyl acetateFL/FR
 jasmin cyclopentanoneFR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 magnolia specialtyFR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
1-(2-methyl allyl oxy)-3-methoxy-3-methyl-1-butaneFR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
beta-naphthyl anthranilateFL/FR
white nelumbo nucifera flower absoluteFR
pink nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower concreteFR
 nerolin fragarolFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 osmanthus absolute replacerFR
 osmanthus concreteFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl butyrateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl pivalateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl acetate substitutesFL/FR
 rhodinyl butyrateFL/FR
 rose carboxylateFR
 rose undeceneFR
 souroubea specialtyFR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
fruity
 acetyl methyl anthranilateFL/FR
 allyl benzoateFR
isoamyl 2-methyl butyrateFL/FR
 apricot essenceFL/FR
 artemisia pallens herb oilFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl butyrateFL/FR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 bisaboleneFL/FR
 butyl 2-naphthyl etherFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
isobutyl butyrateFL/FR
isobutyl furyl propionateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl para-methyl-beta-phenyl glycidateFR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
 filbert hexenoneFL/FR
 fruity ketalFL/FR
 geranyl butyrateFL/FR
 geranyl isovalerateFL/FR
 ginseneFR
 heliotropyl isobutyrateFL/FR
 heptyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
beta-ionone epoxideFL/FR
 leather propionateFR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl beta-ionolFR
 methyl bicycloheptenyl methyloxirane carboxylateFR
 methyl heptanoateFL/FR
 methyl isobutyrateFL/FR
 methyl propionateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 myrasconeFR
 neryl isobutyrateFL/FR
2-nonanone propylene glycol acetalFL/FR
3-nonen-2-oneFL/FR
alpha-ocimeneFL/FR
 octyl propionateFL/FR
 osmanthus flower absoluteFL/FR
 peach nitrileFR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 plum damascone (high alpha)FR
isopropenyl acetateFL/FR
 propyl acetateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 prune glycidateFR
 rhubarb pyranFR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
(R)-styralyl acetateFL/FR
 styralyl butyrateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
cis-woody acetateFR
green
 acetaldehyde methyl hexyl acetalFR
isoamyl 3-(2-furan) propionateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
 thiogeraniolFL/FR
herbal
 artemisyl ketoneFL/FR
(S)-campholene acetateFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
isodihydrolavandulalFL/FR
 geranium cyclohexaneFR
 herbal undecanoneFR
 methyl cyclogeranate (Firmenich)FR
 tagete oil madagascarFL/FR
jammy
 ethyl 2-methyl-2-pentenoateFR
medicinal
ortho-cresyl acetateFL/FR
mentholic
 menthyl acetate racemicFL/FR
nutty
2-methyl-3-pentenoic acidFL/FR
phenolic
ortho-cresyl isobutyrateFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
soapy
 ambrettolideFL/FR
spicy
para-anisyl formateFL/FR
 spicy acetoacetateFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 mango thiolFL/FR
2-phenethyl isothiocyanateFL/FR
terpenic
 pine needle oil dwarfFL/FR
tropical
 triflaige A (ZEON)FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 orris rhizome oil CO2 extractFL/FR
 phytyl acetateFL/FR
woody
 bornyl valerateFL/FR
2-decalinyl acetateFR
 juniper berry oleoresinFL/FR
 melozol acetateFR
 rhubarb oxiraneFR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 artemisyl ketoneFL/FR
 benzyl valerateFL/FR
 blackberry thiophenoneFL/FR
 butyl 2-naphthyl etherFL/FR
sec-butyl ethyl etherFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
alpha-campholenic alcoholFL/FR
ortho-cresyl acetateFL/FR
ortho-cresyl isobutyrateFL/FR
 dihydrocitronellyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl ortho-anisateFL/FR
beta-ionone epoxideFL/FR
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 menthyl acetate racemicFL/FR
 methyl (E)-cinnamateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-methyl-3-pentenoic acidFL/FR
2-nonanone propylene glycol acetalFL/FR
(E)-5-nonen-2-oneFL/FR
alpha-ocimeneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
2-phenethyl isothiocyanateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 phytyl acetateFL/FR
isoprenyl acetateFL/FR
isopropyl benzoateFL/FR
isopropyl hexanoateFL/FR
 rhodinyl acetate substitutesFL/FR
(R)-styralyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
acidic
2-ethyl butyric acidFL/FR
balsamic
 ethyl cinnamateFL/FR
 phenethyl pivalateFL/FR
berry
 dihydro-alpha-iononeFL/FR
 heliotropyl acetoneFL/FR
 heptyl isobutyrateFL/FR
 hibiscus sabdariffa flower extractFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
caramellic
 ethyl maltolFL/FR
 maltyl propionateFL/FR
 strawberry furanoneFL/FR
citrus
 bisaboleneFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
coffee
 methyl furfuryl disulfideFL/FR
creamy
3-octen-2-oneFL/FR
estery
 octyl propionateFL/FR
 propyl acetateFL/FR
ethereal
 methyl isobutyrateFL/FR
isopropenyl acetateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 heliotropyl acetateFL/FR
 linalyl butyrateFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
 tropical iononeFL/FR
fruity
 acetyl methyl anthranilateFL/FR
isoamyl 2-methyl butyrateFL/FR
 apricot essenceFL/FR
 artemisia pallens herb oilFL/FR
 benzyl acetateFL/FR
 benzyl butyrateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry pentadienoateFL/FR
isobutyl anthranilateFL/FR
 butyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
 butyl valerateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
alpha-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
 filbert hexenoneFL/FR
 fruity ketalFL/FR
 geranyl butyrateFL/FR
 heliotropyl isobutyrateFL/FR
2-heptanolFL/FR
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 2-methyl valerateFL/FR
para-methyl benzyl acetateFL/FR
 methyl heptanoateFL/FR
alpha-methyl iononeFL/FR
 methyl propionateFL/FR
beta-naphthyl anthranilateFL/FR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 osmanthus flower absoluteFL/FR
 phenethyl butyrateFL/FR
 phenethyl isovalerateFL/FR
 propyl formateFL/FR
 propyl isobutyrateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
green
isobutyl isovalerateFL/FR
(E)-citronellyl tiglateFL/FR
 cyclohexyl ethyl acetateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
isojasmoneFL/FR
herbal
isodihydrolavandulalFL/FR
honey
 phenethyl isobutyrateFL/FR
jammy
(S)-campholene acetateFL/FR
 maltyl isobutyrateFL/FR
minty
 thiogeraniolFL/FR
oily
3-nonen-2-oneFL/FR
pine
 pine needle oil dwarfFL/FR
soapy
 ambrettolideFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 methyl cinnamateFL/FR
 spicy acetoacetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 mango thiolFL/FR
sweet
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
 propyl heptanoateFL/FR
winey
 valeraldehydeFL/FR
woody
 ambrette seed absoluteFL/FR
 bornyl valerateFL/FR
beta-damascenoneFL/FR
beta-iononeFL/FR
beta-ionyl acetateFL/FR
 juniper berry oleoresinFL/FR
 methyl ionyl acetateFL/FR
 orris rhizome oil CO2 extractFL/FR
 
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Potential Uses:
 berryFR
 floralFR
 fruitFR
 gooseberryFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-, acetate
 cyclohexanepropanol, a,2,2,6-tetramethyl-, acetate
 cyclohexanepropanol, alpha,2,2,6-tetramethyl-, 1-acetate
 cyclohexanepropanol, alpha,2,2,6-tetramethyl-, acetate
alpha,2,2,6-tetramethyl cyclohexyl propyl acetate
4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
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