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    General Material Information
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2-isopropyl phenol

Chemical Structure

General Material Information

Preferred name 2-isopropyl phenol
Trivial Name 2-Isopropylphenol
Short Description 2-isopropylphenol
Formula C9 H12 O
CAS Number 88-69-7
FEMA Number 3461
Flavis Number 4.044
ECHA Number 201-852-8
FDA UNII B2899Z0Q2U
Nikkaji Number J44.155D
Beilstein Number 1363322
MDL MFCD00002224
COE Number 11234
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 697 2-isopropylphenol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 88-69-7 ; 2-ISOPROPYLPHENOL
Synonyms
  • azoene fast orange GR base
  • azoene fast orange GR salt
  • azofix orange GR salt
  • azogene fast orange GR
  • brentamine fast orange GR base
  • brentamine fast orange GR salt
  • C.I. azoic diazo component 6
  • o- cumenol
  • ortho- cumenol
  • cumenol, o-
  • devol orange B
  • devol orange salt B
  • diazo fast orange GR
  • fast orange base GR
  • fast orange base JR
  • fast orange GR base
  • fast orange GR salt
  • fast orange O base
  • fast orange O salt
  • fast orange salt GR
  • fast orange salt JR
  • hiltonil fast orange GR base
  • hiltosal fast orange GR salt
  • hindasol orange GR salt
  • 1-hydroxy-2-isopropyl benzene
  • 1-hydroxy-2-isopropylbenzene
  • o- hydroxycumene
  • ortho- hydroxycumene
  • 2-(1-methyl ethyl) phenol
  • 2-(1-methylethyl)phenol
  • orange base ciba II
  • orange base IRGA II
  • orange GRS salt
  • orange salt ciba II
  • orange salt IRGA II
  • phenol, 2-(1-methylethyl)-
  • phenol, 2-isopropyl-
  • phenol, o-isopropyl-
  • prodox 131
  • 2-propan-2-ylphenol
  • propofol imp. C
  • o-iso propyl phenol
  • ortho-iso propyl phenol
  • 2-(iso- propyl)phenol
  • 2-iso propylphenol
  • o-iso propylphenol
  • ortho-iso propylphenol
  • 2-(1-Methylethyl)phenol
  • o-Isopropylphenol
  • 2-Isopropylphenol
  • o-Hydroxycumene
  • o-Cumenol
  • NSC 5103
  • 2-(Propan-2-yl)phenol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32029
FooDB:FDB008729
Export Tariff Code:2907.19.2000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Specific gravity @ 25 °C
Pounds per Gallon 8.229 to 8.313
Refractive Index 1.525 to 1.53 @ 20 °C
Melting Point 14 to 16°C @ 760 mm Hg
Boiling Point 212 to 214°C @ 760 mm Hg
Vapor Pressure 0.112 mmHg @ 25 °C
Flash Point TCC Value 88.89 °C TCC
logP (o/w) 2.88
Solubility
alcohol Yes
water, 1146 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Phenolic
medicinal, phenolic, solvent, smoky, toasted, woody, burnt, rubbery
General comment At 0.10 % in propylene glycol. medicinal creosote phenolic
Mosciano, Gerard, (2009) At 1.00 %. solvent like, phenolic, smoky with toasted woody and burnt rubber nuances
Flavor Type: Solvent
solvent, woody, smoky, whiskey, resinous, burnt, rubbery
Mosciano, Gerard, (2009) At 10.00 ppm. solvent like, shoe polish, woody smoky, aged scotch and whiskey like with tar and burnt rubber nuances

Occurrences

Potential Uses

Applications
Other purposes Creosote

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
T - Toxic.
R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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:
intravenous-mouse LD50 100 mg/kg
BEHAVIORAL: SLEEP
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

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
Maximised Survey-derived Daily Intakes (MSDI-EU): 14.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (μg/capita/day)
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
Click here to view publication 9
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -3.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -3.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -2.00000
snack foods: --
soft candy: --
soups: -3.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific 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 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf

Scientific Opinion on the safety and efficacy of phenol derivatives containing ring-alkyl, ring-alkoxy and side-chains with an oxygenated functional group (chemical group 25) when used as flavourings for all species
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):88-69-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6943
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3145
WGK Germany:3
2-propan-2-ylphenol
Chemidplus:0000088697
EPA/NOAA CAMEO:hazardous materials
RTECS:SL5900000 for cas# 88-69-7