Basic information
- CAS
3228-02-2- Standard SMILES
Cc1cc(O)ccc1C(C)C- InChIKey
IJALWSVNUBBQRA-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
4-Isopropyl-3-methylphenol is an alkylbenzene.
Names & identifiers
- Preferred name
- 3-Methyl-4-isopropylphenol
- IUPAC
- 3-methyl-4-propan-2-ylphenol
- English name
- 3-methyl-4-propan-2-ylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
4-Isopropyl-3-methylphenol3228-02-23-Methyl-4-isopropylphenolo-CYMEN-5-OL3-methyl-4-propan-2-ylphenol3-Methyl-4-(1-methylethyl)phenolH41B6Q1I9LNORO-X Foaming HandSoapNSC-62111DTXCID20108517DTXSID10186026RefChem:55740
Show more names
4-Isopropyl-2-methylphenol2-Methyl-4-isopropylphenolbiosal(antibacterial)4-Isopropyl-3-Methylphenol, 99.0%(GC)frecide
Biosol4-Isopropyl-m-cresolp-ThymolPhenol, 3-methyl-4-(1-methylethyl)-o-Cymen-5y-ol3-methyl-4-(propan-2-yl)phenolMFCD00010704isopropylmethylphenol
Database identifiers
- CAS
3228-02-2- PubChem CID
- 18597
- DTXSID
DTXSID10186026- ChEBI
CHEBI:34429- UNII
- H41B6Q1I9L
- EC Number
- 221-761-7
- Nikkaji
- J30.641J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (o-Cymen-5-ol) -> CIR (Cosmetic Ingredient Review)
Preservative
FragrancesFragrance Ingredient (Phenol, 3-methyl-4-(1-methylethyl)-) -> IFRA transparency List
Physicochemical properties
- Melting point
- 111 · 111-114 °C(lit.)
- Boiling point
- 246 °C · 246 °C
- Density
- 0.9688 · 0.9688 (estimate)
- vapor pressure
- 1.81 Pa · 1.81Pa at 25℃
- refractive index
- 1.5115 · 1.5115 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 10.36 · 10.36±0.18(Predicted)
- color
- White to Almost white
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 22.8% (37 of 162) of reports.
Danger
H315 (30.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: 3-methyl-4-(1-methylethyl) phenol
Status: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16688
Phenol, 3-methyl-4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-methyl-4-(1-methylethyl) phenol: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (30.2%)
Eye irritation - category 2A
Serious eye damage/eye irritation - Category 1
Toxicology
Toxicity Summary
The CIR Expert panel concludes Sodium p-Chloro-m-Cresol, p-Chloro-m-Cresol, Chlorothymol, m-Cresol, o-Cresol, Isopropyl Cresols, Thymol, o-Cymen-5-ol, Cavacrol are safe at concentrations up to 0.5% in cosmetics; however, the available data are insufficient to support the safety of p-Cresol and Mixed Cresols for use in cosmetic products.
Safe for use in cosmetics, with qualifications
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: o-Cymen-5-ol
Use Classification
Fragrance Ingredients
Cosmetics -> Preservative
Applications
UsesIsopropylmethylphenol is a useful reagent for the cross-coupling reactions.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
11 records
Compound notes
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