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melon acetal

flavor and fragrance agents
2D:
3D:
CAS Number: 67634-23-5
ECHA EC Number: 266-828-1
FDA UNII: 1ZRR9A405A
Category: flavor and fragrance agents
IUPAC Name: melon acetal
InChI : InChI=1/C12H16O2/c1-9-8-13-12(14-9)10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
Std.InChI: InChI=1S/C12H16O2/c1-9-8-13-12(14-9)10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey : KHLVXMUGPANNQD-UHFFFAOYAZ
Std.InChIKey: KHLVXMUGPANNQD-UHFFFAOYSA-N
SMILES : CC1COC(O1)C(C)C2=CC=CC=C2
Molar Refractivity : 55.55 ± 0.3 cm3 (est)
Parachor : 458.2 ± 4.0 cm3 (est)
Index of Refraction : 1.508 ± 0.02 (est)
Surface Tension : 36.5 ± 3.0 dyne/cm (est)
Density : 1.031 ± 0.06 g/cm3 (est)
Polarizability : 22.02 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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PubMed:Search
NCBI:Search
JECFA Food Flavoring:2215 2-phenylpropanal propyleneglycol acetal
FEMA Number:4595 2-phenylpropanal propyleneglycol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):67634-23-5 ; HYDRATROPIC ALDEHYDE PROPYLENE GLYCOL ACETAL

Physical Properties:

Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.02700 to 1.03500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.546 to 8.612
Refractive Index:1.50300 to 1.50700 @ 20.00 °C.
Boiling Point: 256.00 to 257.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.021000 mmHg @ 25.00 °C. (est)
Flash Point: 237.00 °F. TCC ( 113.89 °C. )
logP (o/w): 2.477 (est)
Soluble in:
alcohol
water, 259.6 mg/L @ 25 °C (est)
Insoluble in:
water
Stability:
alkalis

Cosmetic Information:

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

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for melon acetal usage levels up to:
2.0000 % in the fragrance concentrate.
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: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.010000.05000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.100001.00000
confectionery froastings: 0.010000.05000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: 0.100001.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.100000.50000
soft candy: 0.100000.50000
soups: --
sugar substitutes: --
sweet sauces: --

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):67634-23-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :236687
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-methyl-2-(1-phenylethyl)-1,3-dioxolane
Chemidplus:0067634235

References:

4-methyl-2-(1-phenylethyl)-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:67634-23-5
Pubchem (cid):236687
Pubchem (sid):135267942

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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37165
FooDB:FDB016160
Export Tariff Code:2911.00.5000
ChemSpider:View

Potential Blenders and core components :

For Odor
No odor group found for these
dehydrolinalool
FL/FR
aldehydic
aldehydic
iso
butyraldehyde
FL/FR
nonanal (aldehyde C-9)
FL/FR
amber
acetoxymethyl isolongifolene
FR
angelica root oil
FL/FR
formoxymethyl isolongifolene
FR
animal
methyl (E)-2-octenoate
FL/FR
anise
sweet
fennel seed oil
FL/FR
anisic
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil america
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
bornyl formate
FL/FR
buttery
acetoin
FL/FR
citrus
(Z)-7-
decenal
FR
coconut
delta-2-
dodecenolactone
FL/FR
gamma-
octalactone
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
para-
vanillic acid
FL/FR
earthy
benzyl tiglate
FL/FR
dibenzyl ether
FL/FR
2-
ethyl hexyl acetate
FL/FR
2-
ethyl-3-methoxypyrazine
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
methyl undecylenate
FL/FR
muscogene
FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
3-
octen-2-one
FL/FR
1-
octen-3-ol
FL/FR
1-
octen-3-one
FL/FR
octyl phenyl acetate
FL/FR
fatty
2-
decen-1-ol
FL/FR
(E)-2-
decenal
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
methyl 10-undecenoate
FL/FR
(Z)-2-
nonenal
CS
(E)-2-
nonenal
FL/FR
(Z)-3-
octen-1-ol
FL/FR
(E)-2-
octenal
FL/FR
2-
octenal
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
amyl benzoate
FL/FR
iso
amyl salicylate
FL/FR
beta-
damascenone
FL/FR
dewy propionate
FR
dihydro-alpha-ionone
FL/FR
dihydrojasmone
FL/FR
dihydrolinalool
FL/FR
6,8-
dimethyl-2-nonanol
FR
beta-
ionyl acetate
FL/FR
methoxycitronellal
FR
2-
methyl-4-phenyl butanal
FL/FR
ocean propanal
FL/FR
octyl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl butyl ether
FR
phenethyl butyrate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
propyl salicylate
FR
fruity
iso
butyl acetoacetate
FL/FR
diethyl sebacate
FL/FR
geranyl acetoacetate
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
2-
methyl butyl isovalerate
FL/FR
2-
nonanone
FL/FR
octyl propionate
FL/FR
2-
pentyl furan
FL/FR
pineapple hydroxyhexanoate
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl isobutyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
vanilla carboxylate
FL/FR
fungal
hydroxymethyl hexyl ethyl ketone
FL/FR
methyl 2-furoate
FL/FR
green
butyl lactate
FL/FR
2-sec-
butyl-3-methoxypyrazine
FL/FR
earthy acetal
FL/FR
ethyl (E)-2-hexenoate
FL/FR
geranium absolute
FL/FR
green heptenal
FR
(Z)-3-
hepten-1-ol
FL/FR
(E)-3-
hexen-1-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
(Z)-
leaf acetal
FL/FR
melon nonenoate
FL/FR
methyl cyclocitrone (IFF)
FR
methyl octine carbonate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
2,6-
nonadien-1-ol
FL/FR
3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadien-1-ol
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E,Z)-2,6-
nonadienal diethyl acetal
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
2-
octen-1-ol
FL/FR
(Z)-5-
octen-1-ol
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
1-
phenyl-2-pentanol
FL/FR
2-
propenyl-para-cymene
FR
iso
propyl quinoline
FR
violet leaf absolute
FL/FR
herbal
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
barosma betulina leaf oil
FL/FR
sweet
basil absolute
FL/FR
celery ketone
FL/FR
1,4-
cineole
FL/FR
clary sage oil france
FL/FR
white
cognac oil
FL/FR
daucus carota fruit oil
FL/FR
geranium cyclohexane
FR
herbal ketone
FR
hyssop oil
FL/FR
linalyl octanoate
FL/FR
2-
methyl-3-buten-2-ol
FL/FR
3-
octanone
FL/FR
curled
parsley seed oil
FL/FR
rosmarinus officinalis extract
FL/FR
rosmarinus officinalis tincture
FL/FR
salvia sclarea oil
FL/FR
valerian rhizome oil
FL/FR
honey
phenethyl furoate
FL/FR
meaty
meaty dithiane
FL/FR
sulfuryl acetate
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
watermelon ketone
FR
minty
(-)-
menthone
FL/FR
iso
propyl tiglate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
mossy
oakmoss absolute
FL/FR
mushroom
3-
octen-2-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
musty
tetrahydrogeranyl acetone
FL/FR
nutty
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
powdery
dimethyl ionone
FR
spicy
caryophyllene alcohol
FL/FR
cinnamyl isovalerate
FL/FR
cuminaldehyde
FL/FR
2-
octanol
FL/FR
tobacco
3-
ethyl pyridine
FL/FR
veltonal (Bedoukian)
FR
tonka
6-
amyl-alpha-pyrone
FL/FR
tonka undecanone
FR
tropical
hexyl 2-methyl-3-pentenoate
FL/FR
hotrienol
FL/FR
vanilla
vanillylidene acetone
FL/FR
vegetable
methional
FL/FR
waxy
allyl nonanoate
FL/FR
9-
decenoic acid
FL/FR
decyl acetate
FL/FR
ethyl laurate
FL/FR
ethyl myristate
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
phenethyl octanoate
FL/FR
1-
undecanol
FL/FR
2-
undecanol
FL/FR
waxy undecadienol
FR
winey
butyl angelate
FL/FR
woody
amber carbinol
FR
beta-
caryophyllene alcohol acetate
FL/FR
diethyl dimethyl-2-cyclohexenone
FR
sclareolide
FL/FR
vetiver oil haiti
FL/FR
woody heptene
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
amyl benzoate
FL/FR
benzyl methyl sulfide
FL
benzyl tiglate
FL/FR
bornyl formate
FL/FR
butyl angelate
FL/FR
iso
butyraldehyde propylene glycol acetal
FL
caryophyllene alcohol
FL/FR
beta-
caryophyllene alcohol acetate
FL/FR
dehydrolinalool
FL/FR
dimethyl dihydrocyclopentapyrazine
FL
delta-2-
dodecenolactone
FL/FR
earthy acetal
FL/FR
2-
ethyl hexyl acetate
FL/FR
2-
ethyl-3-methoxypyrazine
FL/FR
2-
ethyl-4,5-dimethyl oxazole
FL
geranyl acetoacetate
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
hexanal butane-2,3-diol acetal
FL
hexanal octane-1,3-diol acetal
FL
(S)-(+)-2-
hexanol
FL
hydroxymethyl hexyl ethyl ketone
FL/FR
4-(

Potential Uses:

Occurrence (nature, food, other):

not found in nature

Synonyms:

agrestol
cyclotropal (IFF)
hydratrop aldehyde PG acetal
hydratropaldehyde propylene glycol acetal
hydratropaldehyde propyleneglycol acetal
hydratropic aldehyde PG acetal
hydratropic aldehyde propylene glycol acetal
hydratropyl aldehyde propylene glycol acetal
melon acetal
2-(alpha-methyl benzyl)-4-methyl-1,3-dioxolane
4-methyl-2-(1-phenyl ethyl)-1,3-dioxolane
4-methyl-2-(1-phenylethyl)-1,3-dioxolane
4-methyl-2-(a-methylbenzyl)-1,3-dioxolane
4-methyl-2-(alpha-methyl benzyl)-1,3-dioxolane
4-methyl-2-phenyl ethyl-1,3-dioxolane
2-(a-methylbenzyl)-4-methyl-1,3-dioxolane
2-phenyl propanal propylene glycol acetal
2-phenyl propionaldehyde propylene glycol acetal
2-phenylpropanal propylene glycol acetal
2-phenylpropanal propyleneglycol acetal
2-phenylpropionaldehyde propylene glycol acetal
2-phenylpropionaldehyde propyleneglycol acetal
vertelon (Quest)

Articles:

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