Basic information
- CAS
20834-59-7- Standard SMILES
Cc1ccc(CC(C)(C)O)cc1- InChIKey
LABNAHQUILHURR-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- Benzeneethanol, alpha,alpha,4-trimethyl-
- IUPAC
- 2-methyl-1-(4-methylphenyl)propan-2-ol
- English name
- FEMA 3242
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
20834-59-7Benzeneethanol, alpha,alpha,4-trimethyl-Benzeneethanol, .alpha.,.alpha.,4-trimethyl-para-Methylbenzyl dimethyl carbinolEINECS 244-072-3DTXSID1066659RefChem:563211DTXCID10363892-Methyl-1-(p-tolyl)-2-propanol2-methyl-1-(p-tolyl)propan-2-ol2-methyl-1-(4-methylphenyl)propan-2-olMFCD00021809
Show more names
FEMA 3242P-CYMEN-8-OL8-HYDROXY-P-CYMENE2-P-TOLYL-2-PROPANOLDIMETHYL P-TOLYL CARBINOLα,α,4-Trimethylbenzeneethanol4,α,α-Trimethylbenzeneethanol2-(4-METHYLPHENYL)-2-PROPANOL
alpha,alpha,4-Trimethylphenethyl alcoholBENZENEETHANOL, | inverted exclamation mark,| inverted exclamation mark,4-TRIMETHYL-cumin carbinol2-methyl-1-p-tolylpropan-2-ol2-methyl-1-p-tSCHEMBL295944SCHEMBL118583311,1-Dimethyl-2-(p-tolyl)ethanol
Database identifiers
- CAS
20834-59-7- PubChem CID
- 88710
- DTXSID
DTXSID1066659- EC Number
- 244-072-3
- Nikkaji
- J60.249C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
FragrancesFragrance Ingredient (.alpha.,.alpha.,4-Trimethylphenethyl alcohol) -> IFRA transparency List
Physicochemical properties
- Melting point
- 40 to · 40.0 to 44.0 ℃
- Boiling point
- 64 °C0.6 · 64 °C0.6 mm Hg(lit.)
- Density
- 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5185(lit.)
- Flash point
- 205 °F · 205 °F
- solubility
- Almost insoluble in water, soluble in alcohol and oils.
- form
- powder to crystal
- color
- White to Almost white
- Odor
- 100 % · at 100.00 %. floral green cumin muguet
- Odor Type
- floral
- JECFA Number
- 1650 · 1650
- Cosmetics Ingredients Functions
- PERFUMING
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneethanol, .alpha.,.alpha.,4-trimethyl-
Benzeneethanol, .alpha.,.alpha.,4-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneethanol, .alpha.,.alpha.,4-trimethyl-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzeneethanol, .alpha.,.alpha.,4-trimethyl-: ACTIVE
Applications
Usespara-Methylbenzyl dimethyl carbinol is stable in soap, also stable against oxidation, and it blends excellently with practically all the conventional Wrfume materials for floral and green-herbaceous or Oriental-balsamic notes.
Preparation methods
PreparationBy Grignard type synthesis from Tolyl magnesium bromide plus Acetone.
Suppliers22 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
2 records
Compound notes
Loading…