dehydro-ar-ionene
1,2-dihydro-1,1,6-trimethylnaphthalene
 
Notes:
Isol. from strawberry oil, peaches, tobacco and wines. Component of wine off-flavour on ageing
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1,1,6-trimethyl-2H-naphthalene (Click)
CAS Number: 30364-38-6Picture of molecule
ECHA EINECS - REACH Pre-Reg: 250-150-8
FDA UNII: 01HD1KNX99
Nikkaji Web: J127.334E
XlogP3-AA: 4.20 (est)
Molecular Weight: 172.27052000
Formula: C13 H16
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: No longer supported by Industry (DG SANCO, 2012).
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
Flavis Number: 01.031 (Old)
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94200 to 0.94800 @  25.00 °C.
Pounds per Gallon - (est).: 7.838 to  7.888
Refractive Index: 1.54200 to 1.54800 @  20.00 °C.
Boiling Point: 241.00 to  242.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.054000 mm/Hg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.44 °C. )
logP (o/w): 5.129 (est)
Soluble in:
 alcohol
 water, 2.348 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
licorice
  
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Cosmetic Information:
None found
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Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
1,2-Dihydro-1,1,6-trimethyl-naphthalene
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
Preferred SDS: View
 
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: natural substances and extractives
Recommendation for dehydro-ar-ionene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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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 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
Scientific opinion on Flavouring Group Evaluation 25, Revision 3 (FGE.25Rev3): Aliphatic hydrocarbons from chemical group 31
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 121677
National Institute of Allergy and Infectious Diseases: Data
 1,1,6-trimethyl-2H-naphthalene
Chemidplus: 0030364386
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References:
 1,1,6-trimethyl-2H-naphthalene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 121677
Pubchem (sid): 135079107
Flavornet: 30364-38-6
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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): HMDB40284
FooDB: FDB020005
YMDB (Yeast Metabolome Database): YMDB01576
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
meta-anisaldehydeFL/FR
 zinc chelate of L-lysinate HCl 
alcoholic
 fusel oilFL/FR
3-hexanolFL/FR
anise
 anise oleoresinFL/FR
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
 anise seed oil colombiaFL/FR
star anise seed oil spainFL/FR
star anise seed oil terpenelessFL/FR
sweet fennel absoluteFL/FR
sweet fennel oleoresinFL/FR
anisic
ortho-acetanisoleFL/FR
para-acetanisoleFL/FR
 amyl furoateFL/FR
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
 dihydroanetholFL/FR
 estragoleFL/FR
 ethyl para-anisateFL/FR
 ocimum basilicum herb oil egyptFL/FR
 ocimum basilicum leaf oil CO2 extractFL/FR
 sassafras acetateFL/FR
balsamic
isoamyl pyruvateFL/FR
 cinnamyl butyrateFL/FR
 guaiacyl phenyl acetateFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
3-phenyl propyl alcoholFL/FR
 terpinyl cinnamateFL/FR
burnt
 rum etherFL/FR
caramellic
 caramel pentadioneFL/FR
 cycloteneFL/FR
 diethyl malateFL/FR
 ethyl cyclopentenoloneFL/FR
 mesitene lactoneFR
chemical
isobutyl formateFL/FR
chocolate
2-methyl butyraldehydeFL/FR
coconut
 propyl octanoateFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
 decyl propionateFL/FR
 ethyl acetateFL/FR
 ethyl formateFL/FR
 ethyl pyruvateFL/FR
1-hexen-3-olFL/FR
 methyl acetateFL/FR
(E)-methyl tiglateFL/FR
 propyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 butyl undecylenateFL/FR
fermented
isoamyl alcoholFL/FR
 ethyl (E)-2-crotonateFL/FR
 ethyl crotonateFL/FR
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
2-pentanolFL/FR
 valeraldehydeFL/FR
floral
 anise indeneFR
para-anisyl butyrateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 autumn carboxylateFR
 dimethyl anthranilateFL/FR
 ethyl hydrocinnamateFL/FR
 geranyl acetateFL/FR
 hawthorn acetateFR
 lilac pentanolFL/FR
 linalyl propionateFL/FR
ortho-methyl acetophenoneFL/FR
 methyl citronellateFL/FR
 phenethyl butyrateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
fruity
 acetoin acetateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl decanoateFL/FR
para-anisyl methyl ketoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
isobutyl 2-butenoateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl formateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isovalerateFL/FR
isobutyl propionateFL/FR
 cyclohexanone diethyl acetalFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isobutyrateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
 farnesyl acetoneFL/FR
 fruity carboxylateFR
 geranyl acetoacetateFL/FR
 grape butyrateFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
3-hexanoneFL/FR
 methyl nonanoateFL/FR
 methyl propionateFL/FR
2-pentanoneFL/FR
2-phenyl propyl butyrateFL/FR
 prenyl formateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl acetateFL/FR
green
isoamyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 heptyl acetateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 phenethyl tiglateFL/FR
 tiglaldehydeFL/FR
herbal
 acetyl tributyl citrateFL/FR
isoamyl tiglateFL/FR
 clary sage concreteFL/FR
white cognac oilFL/FR
american elder flower absoluteFR
 ethyl chrysanthemateFR
 floral nitrileFR
 petitgrain heptaneFR
 phenethyl senecioateFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
honey
 allyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
jammy
 ethyl 2-methyl-2-pentenoateFR
licorice
(E)-anetholFL/FR
 glycyrrhiza glabra root extractFL/FR
minty
 carvoneFL/FR
 ethyl salicylateFL/FR
musk
omega-pentadecalactoneFL/FR
musty
2-acetyl pyrroleFL/FR
powdery
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
roasted
2-methyl-1-butanolFL/FR
spicy
homoanisaldehydeFL/FR
para-anisyl formateFL/FR
 artemisia dracunculus herb oilFL/FR
 cinnamyl isovalerateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tonka
 phthalideFL/FR
 saffron resinoidFL/FR
vanilla
 propenyl guaetholFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 phenethyl octanoateFL/FR
 waxy acetateFR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 acetyl tributyl citrateFL/FR
 amyl furoateFL/FR
 amyl octanoateFL/FR
isoamyl pyruvateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
meta-anisaldehydeFL/FR
homoanisaldehydeFL/FR
para-anisyl butyrateFL/FR
para-anisyl phenyl acetateFL/FR
 butyl angelateFL/FR
 butyl formateFL/FR
2-butyl furanFL
isobutyl isovalerateFL/FR
 carvoneFL/FR
 cyclohexanone diethyl acetalFL/FR
 decyl propionateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 diethyl sebacateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl aconitateFL
4-ethyl anisoleFL
 ethyl cyclohexyl carboxylateFL
 ethyl hydrocinnamateFL/FR
 farnesyl acetoneFL/FR
 fleabane oil (erigeron canadensis)FL
 geranyl acetoacetateFL/FR
2-hexanolFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
ortho-methyl acetophenoneFL/FR
2-methyl butyl propionateFL
 methyl hydrocinnamateFL/FR
 methyl propionateFL/FR
(E)-methyl tiglateFL/FR
2-methyl-1-butanolFL/FR
omega-pentadecalactoneFL/FR
 phenethyl senecioateFL/FR
 prenyl formateFL/FR
 propyl octanoateFL/FR
 sassafras acetateFL/FR
 sorbyl propionateFL
 zinc chelate of L-lysinate HCl 
alcoholic
3-hexanolFL/FR
anise
(E)-anetholFL/FR
 anise oleoresinFL/FR
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
 anise seed oil colombiaFL/FR
star anise seed oil spainFL/FR
star anise seed oil terpenelessFL/FR
 ethyl para-anisateFL/FR
sweet fennel absoluteFL/FR
sweet fennel oleoresinFL/FR
anisic
para-acetanisoleFL/FR
 ocimum basilicum herb oil egyptFL/FR
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
berry
 heptyl isobutyrateFL/FR
brown
 tetrahydrofurfuryl acetateFL/FR
burnt
 rum etherFL/FR
caramellic
 caramel pentadioneFL/FR
 cycloteneFL/FR
 pyruvaldehydeFL
ethereal
isobutyl alcoholFL/FR
 ethyl acetateFL/FR
 ethyl formateFL/FR
 ethyl isobutyrateFL/FR
 methyl acetateFL/FR
fatty
isoamyl laurateFL/FR
 butyl undecylenateFL/FR
 methyl decanoateFL/FR
floral
 linalyl propionateFL/FR
 methyl citronellateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
fruity
 acetoin acetateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl acetoacetateFL/FR
isoamyl decanoateFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 berry pentadienoateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cinnamyl isovalerateFL/FR
 dimethyl anthranilateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
 furfuryl isovalerateFL
 fusel oilFL/FR
 hexanal propylene glycol acetalFL/FR
3-hexanoneFL/FR
 hexyl phenyl acetateFL/FR
 lilac pentanolFL/FR
(E,E)-methyl sorbateFL
2-pentanoneFL/FR
 phenethyl butyrateFL/FR
 phenethyl octanoateFL/FR
 propyl formateFL/FR
 propyl hexanoateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
 tiglaldehydeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fusel
isoamyl alcoholFL/FR
green cognac oilFL/FR
white cognac oilFL/FR
2-methyl butyraldehydeFL/FR
green
isoamyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
isobutyl 2-butenoateFL/FR
 geranyl acetateFL/FR
 grape butyrateFL/FR
 heptyl acetateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
1-hexen-3-olFL/FR
 hexyl isobutyrateFL/FR
herbal
 clary sage concreteFL/FR
 dihydroanetholFL/FR
 ocimum basilicum leaf oil CO2 extractFL/FR
honey
 allyl phenyl acetateFL/FR
jammy
 ethyl cyclopentenoloneFL/FR
licorice
2-butyl-3-methyl pyrazineFL
 estragoleFL/FR
 glycyrrhiza glabra root extractFL/FR
 glycyrrhiza glabra root extract powderFL
minty
 ethyl salicylateFL/FR
musty
 ethyl (E)-2-crotonateFL/FR
2-pentanolFL/FR
 propionaldehydeFL
nutty
2-acetyl pyrroleFL/FR
oily
 tetrahydrofurfuryl propionateFL
phenolic
 guaiacyl phenyl acetateFL/FR
powdery
ortho-acetanisoleFL/FR
 powdery ketoneFL
rummy
isobutyl formateFL/FR
 ethyl crotonateFL/FR
 ethyl pyruvateFL/FR
(E)-2-hexen-1-yl formateFL/FR
spicy
para-anisyl formateFL/FR
para-anisyl methyl ketoneFL/FR
 artemisia dracunculus herb oilFL/FR
3-phenyl propyl alcoholFL/FR
2-phenyl propyl butyrateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
sweet
neohesperidin dihydrochalconeFL
 phenethyl tiglateFL/FR
 saffron resinoidFL/FR
tonka
 phthalideFL/FR
vanilla
 propenyl guaetholFL/FR
waxy
 allyl nonanoateFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
(Z)-aconitic acidFL
 cinnamyl butyrateFL/FR
 methyl nonanoateFL/FR
 valeraldehydeFL/FR
woody
 quercus alba chips extractFL
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 cistus oil @ 0.2%
Data  GC  Search Trop  Picture
 peach fruit
Search Trop  Picture
 rum - 0.25 mg/kg
Search  Picture
 tobacco
Search Trop  Picture
 wine
Search  Picture
 wine white wine - up to 0.042 mg/kg
Search  Picture
 witch hazel leaf oil @ 0.21%
Data  GC  Search Trop  Picture
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Synonyms:
1,2-dihydro-1,1,6-trimethyl naphthalene
1,2-dihydro-1,1,6-trimethylnaphthalene
 naphthalene, 1,2-dihydro-1,1,6-trimethyl-
1,1,6-trimethyl-1,2-dihydronaphthalene
1,1,6-trimethyl-2H-naphthalene
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Articles:
 None found yet.
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