Basic information
- CAS
10099-57-7- Standard SMILES
CC(C)c1ccc(CCO)cc1- InChIKey
MUGORNQRYUKUGN-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- Benzeneethanol, 4-(1-methylethyl)-
- IUPAC
- 2-(4-propan-2-ylphenyl)ethanol
- English name
- p-isopropylphenethyl alcohol
- Molecular formula
- C11H16O
- Molecular weight
- 164.24414
Names & synonyms
p-Isopropylphenethyl alcoholBenzeneethanol, 4-(1-methylethyl)-p-Isopropylphenylethyl alcoholPhenethyl alcohol, p-isopropyl-EINECS 233-235-4BRN 2080890AI3-017744-06-00-03405 (Beilstein Handbook Reference)RefChem:563207233-235-410099-57-72-(4-Isopropylphenyl)ethanol
Show more names
4-(1-Methylethyl)benzeneethanolPARA-ISOPRPYLPHENYLETHYLALCOHOLPARA-ISOPROPYLPHENYLETHYLALCOHOL
2-(4-propan-2-ylphenyl)ethanol4-iso-Propylphenethyl alcohol2-[4-(propan-2-yl)phenyl]ethan-1-olMFCD017084754-Isopropylphenylethyl alcoholSCHEMBL2222047SCHEMBL8036454DTXSID7051501
Database identifiers
- CAS
10099-57-7- PubChem CID
- 82349
- DTXSID
DTXSID7051501- EC Number
- 233-235-4
- Nikkaji
- J50.006B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 251.73 °C · 251.73°C (rough estimate)
- Density
- 0.9197 · 0.9197 (rough estimate)
- refractive index
- 1.493 · 1.4930 (estimate)
- LogP
- 2.798 · 2.798 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 4 · Benzeneethanol, 4-(1-methylethyl)- (10099-57-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzeneethanol, 4-(1-methylethyl)-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, 4-(1-methylethyl)-: ACTIVE
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海佰安麦材料科技有限公司13656718387 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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