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

2-hydroxyisophorone
2-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

Supplier Sponsors

Name:2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CAS Number: 4883-60-7Picture of molecule3D/inchi
FDA UNII:5RIP7E0O7J
Nikkaji Web:J1.425.246K
Beilstein Number:1932034
MDL:MFCD02181023
CoE Number:11198
XlogP3-AA:1.50 (est)
Molecular Weight:154.20898000
Formula:C9 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:426 2-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
FLAVIS Number:07.120 (Old)
DG SANTE Food Flavourings:07.120 2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
FEMA Number:3459 2-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-HYDROXY-3,5,5-TRIMETHYL-2-CYCLOHEXENONE
 
Physical Properties:
Appearance:colorless to pale yellow solid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 83.00 to 90.00 °C. @ 760.00 mm Hg
Boiling Point: 90.00 to 110.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.11 °C. )
logP (o/w): 1.837 (est)
Soluble in:
 alcohol
 water, slightly
 water, 396.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
Substantivity: > 192 hour(s) at 100.00 %
phenolic woody dry nutty tobacco spicy clean powdery
Odor Description:at 10.00 % in dipropylene glycol. phenolic woody dry nutty tobacco spicy clean powdery
Luebke, William tgsc, (2009)
Odor sample from: R C Treatt and Co Ltd
Flavor Type: phenolic
phenolic burnt tobacco smoky nut skin
Taste Description: phenolic burnt tobacco smoky nut skin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Ambles Nature et Chimie
3.5.5. TRIMETHYL-1.2 CYCLOHEXANEDIONE
Beijing Lys Chemicals
2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone
BOC Sciences
For experimental / research use only.
3,5,5-Trimethylcyclohexane-1,2-dione
Endeavour Specialty Chemicals
3,5,5-Trimethylcyclohexane-1,2-dione 98% F&F
Speciality Chemical Product Groups
M&U International
3,5,5-TRIMETHYL-1,2-CYCLOHEXANEDIONE, Kosher
Penta International
2-HYDROXY-3,5,5-TRIMETHYL-2-CYCLOHEXENONE
Penta International
3,5,5-TRIMETHYL-1,2-CYCLOHEXANEDIONE
R C Treatt & Co Ltd
3,5,5-Trimethyl cyclohexane-1,2-dione
Halal, Kosher
Odor: candy, phenolic
Flavor: phenolic
Used in frozen desserts and confection at 3ppm, and in non-alcoholic beverages at 1ppm. Used in bakery and soft confection at 12ppm; in frozen dairy and desserts at 6ppm; and in non-alcoholic beverages at 4ppm.
Robinson Brothers
3,5,5-Trimethylcyclohexane-1,2-dione F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
For experimental / research use only.
2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one analytical reference material
Sunaux International
3,5,5-Trimethyl-1,2-cyclohexanedione
Synerzine
3,5,5-Trimethyl-1,2-cyclohexanedione
TCI AMERICA
For experimental / research use only.
2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one >98.0%(GC)
WholeChem
2-2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone
 
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
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-hydroxyisophorone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/day)
Structure Class: II
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: 9
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -3.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
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 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :551084
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
Chemidplus:0004883607
 
References:
 2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):551084
Pubchem (sid):135263204
 
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):HMDB36239
FooDB:FDB015097
Export Tariff Code:2914.29.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
ambergris tincture
FL/FR
ambrette seed absolute
FL/FR
balsamic
1-
benzoyl acetone
FL/FR
bitter
gentian absolute
FL/FR
citrus
bitter
orange peel oil
FL/FR
floral
iso
jasmone
FL/FR
fruity
valeriana officinalis root extract
FL/FR
fungal
methyl 2-furoate
FL/FR
green
marigold pot absolute
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
hay
beeswax absolute
FL/FR
herbal
apium graveolens seed oil
FL/FR
apium graveolens seed oil india
FL/FR
lavandin water absolute
FL/FR
curled
parsley leaf oil
FL/FR
laevo-beta-
pinene
FL/FR
beta-
pinene
FL/FR
safranal
FL/FR
musk
dehydro beta-linalool
FL/FR
nutty
3-
acetyl pyridine
FL/FR
smoky
pyroligneous acids
FL/FR
spicy
allspice berry oil
FL/FR
allspice leaf oil
FL/FR
beta-
caryophyllene
FL/FR
clove bud absolute
FL/FR
clove bud oil CO2 extract
FL/FR
4-
ethyl guaiacol
FL/FR
eugenol
FL/FR
tobacco
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
vanilla
propenyl guaethol
FL/FR
woody
beta-
caryophyllene alcohol acetate
FL/FR
cedarwood oil alcohols
FL/FR
guaiene
FL/FR
para-
menth-3-en-1-ol
FL/FR
2-
methoxy-4-vinyl phenol
FL/FR
4-iso
propyl phenol
FL/FR
For Flavor
No flavor group found for these
ambergris tincture
FL/FR
1-
benzoyl acetone
FL/FR
beta-
caryophyllene alcohol acetate
FL/FR
cedarwood oil alcohols
FL/FR
dehydro beta-linalool
FL/FR
gentian absolute
FL/FR
para-
menth-3-en-1-ol
FL/FR
laevo-beta-
pinene
FL/FR
2-
propyl pyridine
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
brown
brown
beeswax absolute
FL/FR
burnt
4-iso
propyl phenol
FL/FR
caramellic
methyl 2-furoate
FL/FR
citrus
bitter
orange peel oil
FL/FR
fruity
valeriana officinalis root extract
FL/FR
green
iso
jasmone
FL/FR
marigold pot absolute
FL/FR
herbal
apium graveolens seed oil
FL/FR
apium graveolens seed oil india
FL/FR
lavandin water absolute
FL/FR
curled
parsley leaf oil
FL/FR
meaty
phenyl mercaptan
FL
nutty
3-
acetyl pyridine
FL/FR
aconitic acid
FL
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
phenolic
propyl 2-furoate
FL
pine
beta-
pinene
FL/FR
smoky
2-
methoxy-4-vinyl phenol
FL/FR
pyroligneous acids
FL/FR
spicy
allspice berry oil
FL/FR
allspice leaf oil
FL/FR
beta-
caryophyllene
FL/FR
clove bud absolute
FL/FR
clove bud oil CO2 extract
FL/FR
eugenol
FL/FR
vanilla
propenyl guaethol
FL/FR
woody
ambrette seed absolute
FL/FR
4-
ethyl guaiacol
FL/FR
guaiene
FL/FR
safranal
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 alfalfa extract
Search Trop Picture
 clover red clover extract
Search Trop Picture
 tobacco burley tobacco
Search Picture
 
Synonyms:
 cyclohex-2-enone, 2-hydroxy-3,5,5-trimethyl-
2-cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-
2-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
2-hydroxy-3,5,5-trimethyl-2-cyclohexenone
2-hydroxy-3,5,5-trimethyl-cyclohex-2-enone
2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
 
 
Notes:
Used as a food additive [EAFUS]
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