Basic information
- CAS
4427-56-9- Standard SMILES
Cc1ccc(O)c(C(C)C)c1- InChIKey
DSTPUJAJSXTJHM-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
2-isopropyl-p-cresol has been reported in Lippia origanoides, Duhaldea cappa, and Lippia graveolens with data available.
Names & identifiers
- Preferred name
- 2-Isopropyl-p-cresol
- IUPAC
- 4-methyl-2-propan-2-ylphenol
- English name
- 4-Methyl-2-isopropylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2-Isopropyl-4-methylphenol4427-56-94-Methyl-2-isopropylphenol2-Isopropyl-p-cresolm-Cymen-4-olPhenol, 4-methyl-2-(1-methylethyl)-4-methyl-2-propan-2-ylphenolp-Cresol, 2-isopropyl-1-Hydroxy-4-methyl-2-isopropylbenzenePhenol, 2-isopropyl-4-methyl-RIM60IN3PYEINECS 224-611-9
Show more names
2-isopropyl-4-methyl-pheno2-isopropyl-4-methyl-phenol4-Methyl-2-propan-2-ylpheno4-methyl-2-propan-2-yl-phenol4-methyl-2-(1-methylethyl)-pheno
NSC 62110BRN 1860557AI3-01514NSC-62110DTXSID20521044-METHYL-2-(1-METHYLETHYL)PHENOLRefChem:473918m-Cymen-4-ol (8CI)
Database identifiers
- CAS
4427-56-9- PubChem CID
- 78153
- DTXSID
DTXSID2052104- ChEMBL
CHEMBL2288299- UNII
- RIM60IN3PY
Properties
Computed structural properties
- XLogP
- 3.1
- 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
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (2-Isopropyl-p-cresol) -> IFRA transparency List
Physicochemical properties
- Melting point
- 35 °C · 35°C
- Boiling point
- 228 °C · 228°C
- Density
- 0.991 · 0.9910
- refractive index
- 1.5275 · 1.5275
- pka
- 10.78 · 10.78±0.18(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.466 · 3.466 (est)
- FDA UNII
- 60 IN3PY · RIM60IN3PY
- EPA Substance Registry System
- 4 · Phenol, 4-methyl-2-(1-methylethyl)- (4427-56-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Phenol, 4-methyl-2-(1-methylethyl)-
Other Safety InformationIMAP assessments - Phenol, 4-methyl-2-(1-methylethyl)-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationPhenol, 4-methyl-2-(1-methylethyl)-: ACTIVE
Applications
Uses4-Methyl-2-isopropylphenol (Isothymol) can be useful in the study of composition of the volatile oil from the aerial parts of Trachyspermum ammi (L.) Sprague from Oran (Algeria).
Suppliers37 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…