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

passiflora acetate
passifloran (Symrise)

Sponsors

CAS Number: 136954-25-1Picture of molecule3D/inchi
FDA UNII:2951Y254J9
Nikkaji Web:J1.544.204B
XlogP3-AA:2.20 (est)
Molecular Weight:218.31606000
Formula:C10 H18 O3 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Stereoisomeric composition to be specified. CASrn in Register refers to the racemate. Racemate (EFFA, 2012j).
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
JECFA Food Flavoring:494 3-(acetylmercapto)hexyl acetate
FLAVIS Number:12.278 (Old)
DG SANTE Food Flavourings:12.278 3-acetyl mercaptohexyl acetate
FEMA Number:3816 acetylthiohexyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-ACETYLMERCAPTOHEXYL ACETATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03520 to 1.04000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.614 to 8.654
Refractive Index:1.46810 to 1.47500 @ 20.00 °C.
Boiling Point: 212.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Vapor Density:7.52 ( Air = 1 )
Flash Point: 257.00 °F. TCC ( 125.00 °C. )
logP (o/w): 2.621 (est)
Soluble in:
 alcohol
 heptane
 water, 516.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous metallic buchu catty sweet fruity tropical
Odor Description:at 0.10 % in dipropylene glycol. sulfury metallic buchu catty sweet fruity tropical
sulfurous metallic buchu catty sweet fruity tropical apricot peach green vegetable onion garlic burnt rubbery
Odor Description:at 0.10 %. Sulfurous, metallic, buchu-like cattiness, sweet fruity tropical with lingering apricot and peach notes. Green vegetative with onion and garlic notes. Slight burnt rubber nuances
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
Flavor Type: tropical
sulfurous juicy tropical fruit tropical fruit guava passion fruit savory eggy onion cooked onion
Taste Description: at 0.05 - 1.00 ppm. Sulfurous, juicy, tropical fruit with fuzzy guava and passion fruit notes. Savory boiled egg and cooked onion
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
Odor and/or flavor descriptions from others (if found).
Symrise
Passifloran
Taste Description:sulfurous tropical fruit, passion fruit notes
Useful in: fruity citrus, fruity red, fruity tropical.
Treatt
3-Acetylthiohexyl acetate Kosher
Odor Description:Sulphurous, passion fruit, tropical fruit
Taste Description:tropical
Used in tropical fruit flavours: mango, papaya, guava, passion fruit, peach, black currant, grapefruit, pineapple, melon, durian; and as savoury notes for chicken and turkey, onion and garlic, and low levels: 0.05 -1ppm.
Taytonn
3-(Acetylthio) Hexyl Acetate
Odor Description:Green, Spicy, Sweet, Tropical, Vegetable, Waxy
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-(Acetylthio)hexyl acetate
Penta International
3-ACETYLMERCAPTOHEXYL ACETATE, Kosher
Symrise
Passifloran
Flavor: sulfurous tropical fruit, passion fruit notes
Useful in: fruity citrus, fruity red, fruity tropical.
Taytonn
3-(Acetylthio) Hexyl Acetate
Odor: Green, Spicy, Sweet, Tropical, Vegetable, Waxy
Treatt
3-Acetylthiohexyl acetate 1% TEC
Kosher
Treatt
3-Acetylthiohexyl acetate
Kosher
Odor: Sulphurous, passion fruit, tropical fruit
Flavor: tropical
Used in tropical fruit flavours: mango, papaya, guava, passion fruit, peach, black currant, grapefruit, pineapple, melon, durian; and as savoury notes for chicken and turkey, onion and garlic, and low levels: 0.05 -1ppm.
Vigon International
Passifloran
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 37/39 - Wear suitable gloves and eye/face protection.
 
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: flavor and fragrance agents
Recommendation for passiflora acetate usage levels up to:
  0.0500 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 18
 average usual ppmaverage maximum ppm
baked goods: 0.010000.10000
beverages(nonalcoholic): 0.005000.05000
beverages(alcoholic): 0.010000.10000
breakfast cereal: --
cheese: --
chewing gum: 0.050000.30000
condiments / relishes: --
confectionery froastings: 0.010000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.010000.10000
fruit ices: 0.010000.10000
gelatins / puddings: 0.010000.10000
granulated sugar: --
gravies: --
hard candy: 0.010000.10000
imitation dairy: --
instant coffee / tea: 0.000100.00100
jams / jellies: --
meat products: --
milk products: 0.010000.10000
nut products: --
other grains: --
poultry: --
processed fruits: 0.010000.05000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.010000.10000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :2733977
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-acetylsulfanylhexyl acetate
Chemidplus:0136954251
 
References:
 3-acetylsulfanylhexyl acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):2733977
Pubchem (sid):135274217
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37764
FooDB:FDB016905
Export Tariff Code:2915.39.0090
ChemSpider:View
FAO:3-(Acetylmercapto)hexyl acetate
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
balsamic
linalyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
strawberry furanone acetate
FL/FR
citrus
bergamot acetoacetate
FR
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
floral
acetal 318
FR
para-
anisyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
cassis specialty
FR
citronellyl acetate
FL/FR
black
currant bud concrete
FL/FR
ethyl linalyl acetate
FR
iso
eugenyl ethyl acetal
FR
geranyl propionate
FL/FR
alpha-
ionone
FL/FR
beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
styralyl isobutyrate
FL/FR
styralyl propionate
FL/FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
fruity
allyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
allyl propionate
FL/FR
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
benzyl butyrate
FL/FR
berry pentadienoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
neo
caspirene
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
heptyl butyrate
FL/FR
kiwi specialty
FR
linalyl hexanoate
FL/FR
lychee fragrance
FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl cyclohexyl acetate
FR
methyl nonanoate
FL/FR
nigella damascena absolute
FR
plum crotonate
FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum specialty
FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl hexanoate
FL/FR
marigold pot absolute
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
terpinyl propionate
FL/FR
thiogeraniol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu mercaptan acetate
FL/FR
buchu oxime
FR
chamomile octenone
FR
jambu oleoresin
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
2-
pentyl acetate
FL/FR
viridiflorol
FL/FR
minty
diosphenol
FL/FR
(R)-(+)-
pulegone
FR
musk
musk nonane
FR
phenolic
2'-
hydroxyacetophenone
FL/FR
spicy
myrcene
FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
ethyl 3-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
3-(
methyl thio) hexanol
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
genet absolute
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hotrienol
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
passion fruit fragrance
FR
pina colada fragrance
FR
psidium guajava fruit extract
FL/FR
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
ethyl nonanoate
FL/FR
heptyl octanoate
FL/FR
nonyl acetate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
neo
caspirene
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
diosphenol
FL/FR
ethyl 2-(methyl thio) acetate
FL
ethyl 3-mercaptopropionate
FL/FR
ethyl 3-octenoate
FL
linalyl hexanoate
FL/FR
methyl 2-(methyl thio) acetate
FL
S-(
methyl thio) hexanoate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
nonen-4-olide
FL/FR
1-
phenethyl mercaptan
FL
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
sorbyl propionate
FL
styralyl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
allyl propionate
FL/FR
dipropyl trisulfide
FL
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
citrus
grapefruit mercaptan
FL/FR
styralyl propionate
FL/FR
coconut
delta-
octalactone
FL/FR
cooling
jambu oleoresin
FL/FR
creamy
triacetin
FL
dairy
2-
pentyl acetate
FL/FR
ethereal
4-
hexen-3-one
FL
fatty
allyl octanoate
FL/FR
floral
citronellyl acetate
FL/FR
hotrienol
FL/FR
alpha-
ionone
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
berry pentadienoate
FL/FR
buchu mercaptan acetate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
black
currant bud concrete
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
tropical
fruit flavor
FL
guava passion fruit papaya flavor
FL
2,4-
hexadien-1-ol
FL
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl hexanoate
FL/FR
kiwi flavor
FL
linalyl cinnamate
FL/FR
lychee flavor
FL
mango passion fruit guava flavor
FL
2-
mercapto-4-heptanol
FL
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl valerate
FL/FR
papaya guava flavor
FL
passion fruit distillates
FL
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
4-
tropical oxathiane
FL/FR
tropical trithiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
marigold pot absolute
FL/FR
beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
terpinyl propionate
FL/FR
hay
genet absolute
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
metallic
3-(
methyl thio) hexanol
FL/FR
minty
thiogeraniol
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
oily
tetrahydrofurfuryl propionate
FL
sulfurous
buchu mercaptan
FL/FR
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
mango thiol
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
anacardium occidentale fruit puree
FL
guava distillates
FL
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
psidium guajava fruit
FL
psidium guajava fruit extract
FL/FR
vegetable
2-
octen-4-one
FL/FR
potato butyraldehyde
FL
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
heptyl octanoate
FL/FR
nonyl acetate
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FLchicken
FRcitrus
FRcurrant black currant
FLdurian
 fruit tropical fruit
FLgarlic
FRgrapefruit
FRguava
FRmango
FRmelon
FLonion
FRpapaya
FRpassion fruit
FRpeach
FRpineapple
FLturkey
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-acetyl mercaptohexyl acetate
3-acetyl thiohexyl acetate
3-(acetylmercapto)hexyl acetate
3-acetylmercaptohexyl acetate
3-(acetylsulfanyl)hexyl acetate
3-acetylsulfanylhexyl acetate
3-(acetylthio)hexyl acetate
 acetylthiohexyl acetate
3-acetylthiohexyl acetate
 ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]butyl] ester
 passifloran (Symrise)
 

Articles:

 None found yet.
 
Notes:
Isol. from yellow passion fruit (Passiflora edulis). Flavouring ingredient
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