3-isopropyl phenol

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phenol, 3-(1-methylethyl)-

CAS: 618-45-1 C9 H12 O MW: 136.19384000

Identification

Name3-isopropyl phenol
IUPAC3-propan-2-ylphenol
CAS Number618-45-1
EINECS210-551-0
FDA UNIIERD00478GH
Molecular FormulaC9 H12 O
Molecular Weight136.19384000
MDL NumberMFCD00002301
Nikkaji NumberJ44.156B
Beilstein2040880
XlogP32.70 (est)

Regulatory

DG SANTE Food Flavourings04.072 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
Insoluble in water

No sensory data available

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-mouse LD50 1630 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
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 Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)0.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.20000
Edible ices, including sherbet and sorbet (03.0)0.50000
Processed fruit (04.1)0.40000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)1.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.20000
Bakery wares (07.0)2.00000
Meat and meat products, including poultry and game (08.0)0.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.20000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.30000
Foodstuffs intended for particular nutritional uses (13.0)0.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.20000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)1.00000
Ready-to-eat savouries (15.0)2.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.40000

Penta International Corporation

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09-56503 3-ISOPROPYL PHENOL
View All Website (973) 740-2300 lisaa@pentamfg.com

Potential Uses

None Found

Natural Occurrence

helichrysum italicum

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-iso propyl phenol 3-iso propyl-phenol m-iso propyl-phenol 3-(iso- propyl)phenol 3-iso propylhydroxybenzene 3-iso propylphenol m-iso propylphenol iso propylphenol, meta 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].