4-isopropyl phenol
phenol, 4-(1-methylethyl)-
 
Notes:
Occurs in oil of Eucalyptus sp. [CCD]
  • CTC Organics
    • CTC Organics
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      Your source for rare aroma chemicals for the flavor and fragrance industy.
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      W0928 4-isopropylphenol
       
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      Product(s):
      09-56505 4-isoPROPYLPHENOL
       
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      Product(s):
      I0262 4-isoPropylphenol >99.0%(GC)
       
Synonyms   Articles   Notes   Search
4-propan-2-ylphenol (Click)
CAS Number: 99-89-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 202-798-8
FDA UNII: 9F59JOO816
Nikkaji Web: J43.396I
Beilstein Number: 1363564
MDL: MFCD00002372
XlogP3: 2.90 (est)
Molecular Weight: 136.19384000
Formula: C9 H12 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance 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
PubMed: Search
NCBI: Search
Flavis Number: 04.073 (Old)
DG SANTE Food Flavourings: 04.073  4-isopropylphenol
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Physical Properties:
Appearance: white to tan powder (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 60.00 to  64.00 °C. @ 760.00 mm Hg
Boiling Point: 222.00 to  223.00 °C. @ 760.00 mm Hg
Boiling Point: 112.00 to  115.00 °C. @ 12.00 mm Hg
Vapor Pressure: 0.147000 mm/Hg @ 25.00 °C. (est)
Flash Point: 203.00 °F. TCC ( 95.30 °C. ) (est)
logP (o/w): 2.900
Soluble in:
 alcohol
 water, 1102 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: woody
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 woody  warm  spicy  medicinal  
Odor Description:
at 1.00 % in dipropylene glycol. 
woody warm spicy medicinal
 burnt  phenolic  
Taste Description:
burnt phenolic
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
CTC Organics
4-isopropylphenol
Penta International
4-isoPROPYLPHENOL
Santa Cruz Biotechnology
For experimental / research use only.
4-isoPropylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Isopropylphenol 98%
TCI AMERICA
For experimental / research use only.
4-isoPropylphenol >99.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C N - Corrosive, Dangerous for the environment.
R 22 - Harmful if swallowed.
R 34 - Causes burns.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 43 - May cause sensitisation by skin contact.
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.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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  40 mg/kg
BEHAVIORAL: SLEEP
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

oral-mouse LD50  875 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 94, 1981.

intraperitoneal-mouse LDLo  250 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 339, 1953.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 420 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
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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):
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
EPI System: View
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 99-89-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7465
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2430
WGK Germany: 2
 4-propan-2-ylphenol
Chemidplus: 0000099898
RTECS: SL5950000 for cas# 99-89-8
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References:
 4-propan-2-ylphenol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 99-89-8
Pubchem (cid): 7465
Pubchem (sid): 134972064
Pherobase: View
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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
CHEMBL: View
UM BBD: Search
HMDB (The Human Metabolome Database): HMDB29667
FooDB: FDB005302
Export Tariff Code: 2907.19.8000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
amber
 amber caraneFR
animal
 musk indenofuranFR
anise
 estragon absoluteFR
balsamic
 croton glabellus bark extractFL/FR
 frankincense absoluteFL/FR
 guaiyl acetateFL/FR
 khella oilFR
 myrrh resinoidFR
 opoponax absolute (balsamodendron kafal)FL/FR
 valeriana wallichii root oilFR
earthy
3-octanolFL/FR
floral
 cassis specialtyFR
 dihydrojasmoneFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 rose concrete (rosa centifolia)FR
green
 octanal diethyl acetalFL/FR
herbal
 acorus calamus rhizome oilFR
 ajowan seed oilFL/FR
 anthemis nobilis flower oil romanFL/FR
 balsamite oil 
sweet basil absoluteFL/FR
 calamintha clinopodium oilFR
 canarium luzonicum oilFL/FR
 clary sage oil franceFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
 linalyl acetateFL/FR
 nonisyl acetateFR
curled parsley seed oilFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
common tansy flower oilFR
common tansy flower oil dutchFR
 theaspiraneFL/FR
 thyme absoluteFL/FR
licorice
(E)-anetholFL/FR
medicinal
2-hydroxybenzaldehydeFL/FR
summer savory oilFL/FR
minty
5- and 6-isopropyl-1,3,3-trimethyl bicyclo(2.2.2)-5,7-octadien-2-one 
(-)-isopulegolFL/FR
musk
 musk indanoneFR
orris
 eugenyl formateFL/FR
para-isopropyl acetophenoneFL/FR
peppery
 asarum europaeum oilFR
phenolic
meta-cresolFR
ortho-guaiacolFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
saffron
 saffron stigmates absoluteFR
spicy
 allspice berry absoluteFL/FR
 anona squamosa leaf oilFR
 artemisia dracunculus herb oilFL/FR
 atractylis root oilFR
 atractylodes lancea root 
 ayou wood oilFR
 carvacrolFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
alpha-caryophyllene alcoholFL/FR
 cascarilla oil replacerFL/FR
 cassia bark oil chinaFL/FR
 cassia leaf oilFL/FR
 cinnamon bark oilFL/FR
 cinnamon bark oil (cinnamomum zeylanicum) indiaFL/FR
 cinnamon bark oil ceylonFL/FR
 cinnamon leaf oil ceylonFL/FR
 cinnamon oleoresin ceylonFL/FR
 clove bud absoluteFL/FR
 clove bud oil CO2 extractFL/FR
 croton eluteria bark oilFL/FR
1,5-dimethyl-3-n-pentyl-2-oxabicyclo(2.2.2)octane 
 eugenyl acetateFL/FR
 galangal root oilFL/FR
 ginger oleoresin africaFL/FR
 ginger root oil brazilFL/FR
 ginger root oil chinaFL/FR
 grains of paradise oilFL/FR
 green oxaneFR
 mace absoluteFL/FR
 mace oilFL/FR
 machilus kusanoi leaf oilFR
 machilus kusanoi wood oilFR
 maja fragranceFR
 mastic fruit oil 
 methyl heptadienoneFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 nutmeg oilFL/FR
 ocimum gratissimum herb oil indiaFR
black pepper absoluteFL/FR
 pepper hexanoneFR
black pepper oil CO2 extractFL/FR
 pepper tree berry absoluteFL/FR
 pepper tree berry oilFL/FR
 pepper tree berry oil CO2 extract 
 piper longum fruit oilFL/FR
 piper longum fruit oil CO2 extractFL/FR
 safroleCS
 spicy carbonateFR
 sugandha kokila berry oilFR
(E)-tiglic acidFL/FR
 turmeric root absoluteFL/FR
 zingiber officinale root extractFL/FR
 zingiber officinale root tinctureFL/FR
terpenic
para-cymeneFL/FR
 juniper branch oilFR
(R)-(-)-alpha-phellandreneFL/FR
 pine needle oil dwarfFL/FR
thujonic
common tansy leaf oil dutch 
common tansy oil canadaFR
beta-thujone 
vanilla
 vanilla cresolFR
 vanillin propylene glycol acetalFL/FR
woody
ar-abietatriene 
isocaryophylleneCS
 caryophyllene alcohol acetateFR
 caryophyllene formateFL/FR
beta-caryophyllene oxideFL/FR
atlas cedarwood oilFR
alpha-copaene 
 curcuma zedoaria bark extractFL/FR
 dacrydium franklinii wood oilFR
 frankincense resinoidFL/FR
(E)-germacrene DFL/FR
 guaiacwood oilFL/FR
 guaiacwood oil 20% in gurjun balsam oilFR
 guaiacyl acetateFL/FR
 hedychium spicatum root oilFR
 jatamansi root oilFR
 juniper berry oleoresinFL/FR
 methyl methylene tricyclodecanolFR
gamma-muurolene 
 patchouli absoluteFR
 rhubarb oxiraneFR
 sabineneFL/FR
 santal penten-2-olFR
 spicy pentanoneFL/FR
 spikenard oilFL/FR
 spikenard oil CO2 extractFL/FR
 zedoary bark oilFL/FR
 zedoary root oilFL/FR
 zedoary root oil CO2 extractFL/FR
 
For Flavor
 
No flavor group found for these
ar-abietatriene 
 atractylodes lancea root 
 balsamite oil 
alpha-caryophyllene alcoholFL/FR
 caryophyllene formateFL/FR
alpha-copaene 
 croton glabellus bark extractFL/FR
 eugenyl formateFL/FR
(E)-germacrene DFL/FR
 grains of paradise oilFL/FR
 guaiyl acetateFL/FR
 mastic fruit oil 
gamma-muurolene 
(R)-(-)-alpha-phellandreneFL/FR
 piper longum fruit oil CO2 extractFL/FR
5- and 6-isopropyl-1,3,3-trimethyl bicyclo(2.2.2)-5,7-octadien-2-one 
(-)-isopulegolFL/FR
 spikenard oilFL/FR
 spikenard oil CO2 extractFL/FR
common tansy leaf oil dutch 
beta-thujone 
anise
(E)-anetholFL/FR
balsamic
 opoponax absolute (balsamodendron kafal)FL/FR
brown
(E)-tiglic acidFL/FR
cooling
 theaspiraneFL/FR
floral
 dihydrojasmoneFL/FR
 linalyl acetateFL/FR
fruity
 spicy pentanoneFL/FR
green
 canarium luzonicum oilFL/FR
 methyl heptadienoneFL/FR
 octanal diethyl acetalFL/FR
herbal
 ajowan seed oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
 clary sage oil franceFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
curled parsley seed oilFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 thyme absoluteFL/FR
meaty
 phenyl mercaptanFL
medicinal
 frankincense absoluteFL/FR
summer savory oilFL/FR
musty
3-octanolFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
 propyl 2-furoateFL
pine
 pine needle oil dwarfFL/FR
smoky
 prosopis juliflora wood extractFL
solvent
 methyl phenyl sulfideFL
spicy
 allspice berry absoluteFL/FR
 artemisia dracunculus herb oilFL/FR
 carvacrolFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
 cascarilla oil replacerFL/FR
 cassia bark oil chinaFL/FR
 cassia leaf oilFL/FR
 cinnamon bark oilFL/FR
 cinnamon bark oil (cinnamomum zeylanicum) indiaFL/FR
 cinnamon bark oil ceylonFL/FR
 cinnamon leaf oil ceylonFL/FR
 cinnamon oleoresin ceylonFL/FR
 clove bud absoluteFL/FR
 clove bud oil CO2 extractFL/FR
 croton eluteria bark oilFL/FR
1,5-dimethyl-3-n-pentyl-2-oxabicyclo(2.2.2)octane 
 eugenyl acetateFL/FR
 galangal root oilFL/FR
 ginger oleoresin africaFL/FR
 ginger root oil brazilFL/FR
 ginger root oil chinaFL/FR
2-hydroxybenzaldehydeFL/FR
 mace absoluteFL/FR
 mace oilFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 nutmeg oilFL/FR
black pepper absoluteFL/FR
black pepper oil CO2 extractFL/FR
white pepper oleoresinFL
 pepper tree berry absoluteFL/FR
 pepper tree berry oilFL/FR
 pepper tree berry oil CO2 extract 
 piper longum fruit oilFL/FR
para-isopropyl acetophenoneFL/FR
winter savory oilFL
 turmeric oleoresinFL
 turmeric root absoluteFL/FR
 zingiber officinale root extractFL/FR
 zingiber officinale root tinctureFL/FR
terpenic
para-cymeneFL/FR
vanilla
 vanillin propylene glycol acetalFL/FR
waxy
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
woody
beta-caryophyllene oxideFL/FR
 curcuma zedoaria bark extractFL/FR
 frankincense resinoidFL/FR
ortho-guaiacolFL/FR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
 juniper berry oleoresinFL/FR
 sabineneFL/FR
 zedoary bark oilFL/FR
 zedoary root oilFL/FR
 zedoary root oil CO2 extractFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 spiceFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 cumin seed - up to 1900 mg/kg
Search Trop  Picture
 cumin seed oil
Search Trop  Picture
 eucalyptus polybractea
Search Trop  Picture
 potato fried potato
Search  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 australol
p-cumenol
para-cumenol
1-hydroxy-4-isopropyl benzene
1-hydroxy-4-isopropylbenzene
4-hydroxycumene
p-hydroxycumene
para-hydroxycumene
4-(1-methyl ethyl) phenol
4-(methylethyl)phenol
4-(1-methylethyl)phenol
 phenol, (1-methylethyl)-
 phenol, 4-(1-methylethyl)-
 phenol, 4-isopropyl-
 phenol, p-isopropyl-
 prodox 133
4-(prop-2-yl)phenol
4-(propan-2-yl)phenol
4-propan-2-ylphenol
4-isopropyl phenol
p-isopropyl phenol
para-isopropyl phenol
4-isopropylphenol
p-isopropylphenol
para-isopropylphenol
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Synonyms   Articles   Notes   Search   Top
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