3-(3-propen-2-yl phenyl) butanal
butanal, 3-(3-(1-methylethenyl)phenyl)-
 
Notes:
None found
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CAS Number: 125109-84-4Picture of molecule3D/inchi
Nikkaji Web: J1.563.104J
XlogP3-AA: 3.30 (est)
Molecular Weight: 188.26972000
Formula: C13 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 274.63 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 259.00 °F. TCC ( 125.90 °C. ) (est)
logP (o/w): 3.197 (est)
Soluble in:
 water, 23.42 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fresh
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 ozone  cortex  green  floral  melon  
Odor Description:
at 10.00 % in dipropylene glycol. 		ozone, stemmy-green floral, melon
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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:
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 3-(3-propen-2-yl phenyl) butanal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 125109-84-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 86208
National Institute of Allergy and Infectious Diseases: Data
 3-[3-(prop-1-en-2-yl)phenyl]butanal
Chemidplus: 0125109844
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References:
 3-[3-(prop-1-en-2-yl)phenyl]butanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 86208
Pubchem (sid): 135043919
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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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
isobutyraldehydeFL/FR
6,7,8-decen-1-olFR
 dodecanal (aldehyde C-12 lauric)FL/FR
3-methyl-4-hexyl oxybutyraldehydeFR
balsamic
 cinnamyl formateFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
 citral dimethyl acetalFL/FR
 citrus floral green fragranceFR
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
 nonanal dimethyl acetalFL/FR
(E)-2-tetradecenalFL/FR
2-tetradecenalFL/FR
earthy
2-octanone oximeFR
fatty
2-decenalFL/FR
floral
 acetaldehyde dibutyl acetalFL/FR
 aglaia odorata absoluteFR
 amyl benzoateFL/FR
 amyl salicylateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 boronia concreteFL/FR
alpha-butyl cinnamaldehydeFL/FR
 cassie absolute replacerFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 coriander seed oil CO2 extractFL/FR
 cumin carbinolFR
 dictamnus hispanicus oilFR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 dihydroisojasmonate methyl esterFR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
6,8-dimethyl-2-nonanolFR
 ethyl 2-benzyl butyrateFL/FR
 ethyl phenoxyacetateFR
 farnesolFL/FR
 farnesyl acetateFL/FR
 floral butanalFR
 floral fragranceFR
 floral undecenoneFR
 gardenia absoluteFR
 gardenia acetalFR
 gardenia concreteFR
 gardenia fragranceFR
 gardenia specialtyFR
 gardenia taitensis flower absoluteFR
 geranium dihydropyranFR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil bourbon replacerFR
 geranium oil chinaFL/FR
 geranium oil replacerFR
 geranium pyranFR
 geranyl acetoneFL/FR
 geranyl formateFL/FR
(Z)-4-hepten-2-yl salicylateFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl lactateFL/FR
 hyacinth absolute replacerFR
 hyacinth fragranceFR
 hyacinth oilFR
 hyacinth specialtyFR
 hydrangea fragranceFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal distillation residue distillatesFR
 hydroxycitronellal propylene glycol acetalFL/FR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 jonquil absolute replacerFR
 jonquil fragranceFR
 lilac absoluteFR
 lily fragranceFR
calla lily fragranceFR
 lily propanolFR
 linalyl phenyl acetateFL/FR
 lotus fragranceFR
 magnolia indeneFR
(2-methoxy-1-methyl propyl) benzeneFR
(3-methoxy-2-methyl propyl) benzeneFR
1-(2-methyl allyl oxy)-2-methyl butaneFR
4-methyl-4-phenyl-2-pentanolFR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 mimosa absolute replacerFR
 mimosa fragranceFR
 mimosa specialtyFR
 narcissus absolute replacerFR
 narcissus fragranceFR
 narcissus specialtyFR
 nerolFL/FR
 neroli oil CO2 extractFL/FR
(E)-nerolidolFL/FR
 nerolidolFL/FR
 ocean propanalFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 orange leaf absoluteFL/FR
bitter orangeflower absolute moroccoFL/FR
bitter orangeflower absolute tunisiaFL/FR
 orchid specialtyFR
 papaya isobutyrateFL/FR
 phenyl acetaldehyde dicitronellyl acetalFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 reseda absoluteFR
 reseda absolute replacerFR
 rhodinyl formateFL/FR
 rose butanoateFL/FR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 rose pyranFR
 styralyl formateFL/FR
 sweet pea absoluteFR
 terpinyl isobutyrateFL/FR
5-tricyclodecenyl acetateFR
(S,E)-3,7,11-trimethyldodeca-6,10-dienalFR
 verdyl acetateFR
 violet methyl carbonateFR
 violet specialtyFR
 ylang ylang flower oil IIIFL/FR
fruity
 benzyl methyl etherFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl crotonateFR
 dimethyl succinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 heptanal cyclic ethylene acetalFR
 peach pivalateFR
 tropical iononeFL/FR
fungal
 jasmin nonaneFR
green
 acetaldehyde methyl hexyl acetalFR
isoamyl 3-(2-furan) propionateFL/FR
isobutyl benzyl carbinolFL/FR
 chrysanthemum oxideFL/FR
homocuminic aldehydeFR
 decanal propylene glycol acetalFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 earthy acetalFL/FR
 fern specialtyFR
 flower hexeneFR
 galbanum oilFL/FR
 galbanum oil replacerFR
 galbanum oil terpenelessFL/FR
 geranium fragranceFR
 green cyclopropionateFR
(E)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
(Z)-3-hexen-1-yl angelateFR
 hexen-1-yl oxypropane nitrileFR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
2,4-ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 ivy fragranceFR
 lilac acetaldehydeFL/FR
 marine fragranceFR
 marine specialtyFR
 melon nonenoateFL/FR
(2-methoxy-1-methyl butyl) benzeneFR
[(4E,4Z)-5-methoxy-3-methyl-4-penten-1-yl] benzeneFR
 methyl cyclocitrone (IFF)FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
 narcissus flower absoluteFR
 octyl oxyacetaldehydeFR
 pelargonium graveolens stem leaf extractFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenoxyacetaldehyde 50% in peomosaFR
 phenyl acetaldehyde solutionFL/FR
3-phenyl propionaldehydeFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
herbal
 chrysanthemum ketoneFR
 clary sage absoluteFL/FR
 coriander oleoresinFL/FR
 dihexyl (E)-fumarateFR
 fougere herbal fragranceFR
 linalyl acetateFL/FR
 marigold absolute (tagetes patula)FR
1-(2-methyl allyl oxy) heptaneFR
2-methyl butyl salicylateFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 phenyl acetaldehyde diisoamyl acetalFR
 rain forest specialtyFR
medicinal
 kunzea ericoides leaf oilFR
spicy
 cinnamyl propionateFL/FR
isocyclogeraniol (IFF)FR
 spicy carbonateFR
tea
 camellia oleifera leaf extractFL/FR
waxy
3-decanoneFL/FR
woody
 fougere woody fragranceFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde dibutyl acetalFL/FR
 amyl benzoateFL/FR
 boronia concreteFL/FR
 cassie absolute replacerFL/FR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 earthy acetalFL/FR
 ethyl 2-benzyl butyrateFL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
 hydroxycitronellal propylene glycol acetalFL/FR
 linalyl phenyl acetateFL/FR
2-methyl butyl salicylateFL/FR
 phenyl acetaldehyde solutionFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
2-tetradecenalFL/FR
isoamyl 3-(2-furan) propionateFL/FR
alpha-butyl cinnamaldehydeFL/FR
aldehydic
isobutyraldehydeFL/FR
amber
isobutyl benzyl carbinolFL/FR
aromatic
 amyl salicylateFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
 citral dimethyl acetalFL/FR
 nerolFL/FR
fatty
2-decenalFL/FR
floral
 cinnamyl propionateFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 farnesolFL/FR
 farnesyl acetateFL/FR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil chinaFL/FR
 geranyl acetoneFL/FR
 linalyl acetateFL/FR
 neroli oil CO2 extractFL/FR
 ocean propanalFL/FR
 orange leaf absoluteFL/FR
bitter orangeflower absolute moroccoFL/FR
bitter orangeflower absolute tunisiaFL/FR
laevo-rose oxideFL/FR
 tropical iononeFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 benzyl methyl etherFL/FR
 citronellyl isobutyrateFL/FR
 dimethyl succinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 hexyl lactateFL/FR
 lilac acetaldehydeFL/FR
 rhodinyl formateFL/FR
 rose butanoateFL/FR
green
 chrysanthemum oxideFL/FR
 clary sage absoluteFL/FR
 galbanum oilFL/FR
 galbanum oil terpenelessFL/FR
 geranyl formateFL/FR
(E)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 melon nonenoateFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 nonanal dimethyl acetalFL/FR
 papaya isobutyrateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
(Z)-rose oxideFL/FR
herbal
 coriander oleoresinFL/FR
 coriander seed oil CO2 extractFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
melon
 hydroxycitronellal diethyl acetalFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 cinnamyl formateFL/FR
tea
 camellia oleifera leaf extractFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
(E)-2-tetradecenalFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 butanal, 3-(3-(1-methylethenyl)phenyl)-
3-(3-(1-methyl ethenyl)phenyl) butanal
beta-methyl-3-(1-methyl ethenyl) benzene propanal
3-[3-(prop-1-en-2-yl)phenyl]butanal
3-(3-propen-2-ylphenyl)butanal
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