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

3-isopropyl phenol
phenol, 3-(1-methylethyl)-

Supplier Sponsors

Name:3-propan-2-ylphenol
CAS Number: 618-45-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-551-0
FDA UNII: ERD00478GH
Nikkaji Web:J44.156B
Beilstein Number:2040880
MDL:MFCD00002301
XlogP3:2.70 (est)
Molecular Weight:136.19384000
Formula:C9 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge 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
DG SANTE Food Flavourings:04.072 3-isopropylphenol
FDA Mainterm (IAUFC):618-45-1 ; ISOPROPYLPHENOL, M-
 
Physical Properties:
Appearance:yellow to brown liquid to solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99400 @ 25.00 °C.
Refractive Index:1.52500 @ 20.00 °C.
Melting Point: 23.00 to 26.00 °C. @ 760.00 mm Hg
Boiling Point: 228.00 to 229.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.050000 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 2.851 (est)
Soluble in:
 alcohol
 water, 962.3 mg/L @ 25 °C (est)
 water, 962 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Penta International
3-ISOPROPYL PHENOL
Santa Cruz Biotechnology
For experimental / research use only.
3-isoPropylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Isopropylphenol 97%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 22 - Harmful if swallowed.
R 34 - Causes burns.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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:
oral-mouse LD50 1630 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 94, 1981.

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): 0.0012 (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
Chewing gum (05.3): --
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
 
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):618-45-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12059
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2430
WGK Germany:3
3-propan-2-ylphenol
Chemidplus:0000618451
RTECS:SL5800000 for cas# 618-45-1
 
References:
 3-propan-2-ylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:618-45-1
Pubchem (cid):12059
Pubchem (sid):134978287
 
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 Indirect Additives used in Food Contact Substances:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 helichrysum italicum
Search Trop Picture
 
Synonyms:
m-cumenol
meta-cumenol
1-hydroxy-3-isopropylbenzene
3-hydroxycumene
3-(1-methylethyl)phenol
 phenol, 3-(1-methylethyl)-
 phenol, 3-isopropyl-
 phenol, m-isopropyl-
3-(propan-2-yl)benzolol
3-(propan-2-yl)phenol
3-propan-2-ylphenol
meta-isopropyl phenol
3-isopropyl-phenol
m-isopropyl-phenol
3-(iso-propyl)phenol
3-isopropylhydroxybenzene
3-isopropylphenol
m-isopropylphenol
isopropylphenol, meta
 

Articles:

PubMed:Responses of Tabanidae (Diptera) to canopy traps baited with 4-methylphenol, 3-isopropylphenol, and naphthalene.
PubMed:Aquatic toxicity of four alkylphenols (3-tert-butylphenol, 2-isopropylphenol, 3-isopropylphenol, and 4-isopropylphenol) and their binary mixtures to microbes, invertebrates, and fish.
PubMed:Toxicological properties of thio- and alkylphenols causing flavor tainting in fish from the upper Wisconsin River.
PubMed:A method for quantitative analysis of flavor-tainting alkylphenols and aromatic thiols in fish.
PubMed:[Substance toxicity and danger].
 
Notes:
None found
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