HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Phenyl-1-propanol
2-Phenylpropan-1-ol · 2-PHENYL-1-PROPANOL · FEMA 2732 · HYDRATROPIC ALCOHOL · 2-PHENYL PROPYL ALCOHOL · Benzeneethanol, .beta.-methyl- · 3-Bromo-β2-phenylpropan- · HYDRATROPAALKOHOL
Identifiers & Physical Properties
| CAS No. | 1123-85-9 |
|---|---|
| Molecular formula | C9H12O |
| Average molar mass | 136.19 g/mol |
| Monoisotopic mass | 136.088815 g/mol |
| SMILES | CC(CO)c1ccccc1 |
| InChIKey | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
| PubChem CID | 14295 |
| ChEMBL | CHEMBL2323841 |
| ChEBI | CHEBI:193640 |
| EC No. | 214-379-7 |
| DTXSID | DTXSID8037756 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 84 |
| Density | 0.971-0.9780.975 g/mL at 25 °C (lit.) |
| Solubility | Soluble in oilsSlightly soluble in waterSoluble (in ethanol)insoluble |
| Boiling point | 113.00 to 114.00 °C. @ 14.00 mm Hg219 °C110-111 °C/10 mmHg (lit.) |
| Refractive index | 1.523-1.530n20/D 1.526(lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS]Colourless liquidSweet floral lilac, hyacinth type aroma |
| Kovats Retention Index | 1144.611791975.11920 |
| Melting point | -37 °C |
| Vapor pressure | 3.45hPa at 25℃ |
| FEMA | 2732 | BETA-METHYLPHENETHYL ALCOHOL |
| FLAVIS Number | 02.073 | 2-Phenylpropan-1-ol |
| Flash point | 201 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | clear liquid |
| pKa (acidity coefficient) | 14.79±0.10(Predicted) |
| Specific gravity | 1.015 |
| Color | Colorless to Almost colorless |
| Odor | at 100.00 %. green spicy hyacinth balsam lilac honeysuckle |
| Odor type | balsamic |
| Biological source | synthetic |
| JECFA Number | 1459 |
| BRN | 1906760 |
| Major applications | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChIKey | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
| SMILES | CC(CO)c1ccccc1 |
| LogP (partition coefficient) | 1.8 at 20℃ |
| CAS DataBase Reference | 1123-85-9(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | BETA-METHYLPHENETHYL ALCOHOL |
| FDA UNII | 27ZYZ88DWU |
| NIST Chemistry Reference | Benzeneethanol, «beta»-methyl-(1123-85-9) |
| EPA Substance Registry System | Benzeneethanol, .beta.-methyl- (1123-85-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P280f |
| Personal protective equipment (PPE) | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Safety statements (S) | 23-24/25-36 |
| Water hazard class (WGK) | 2 |
| RTECS number | SG8590000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29062900 |
| Storage class | 10 - Combustible liquids |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 268 of 288 companies (only 6.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 268 of 288 reports by companies.There are 4 notifications provided by 20 of 288 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Chemical: Benzeneethanol, .beta.-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Other safety information | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazards summary | Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats[RTECS] Safe when used as a flavoring agent in food[JECFA] May cause irritationHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Not Classified |
| Personal protective equipment (PPE) | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| RTECS number | SG8590000 |
| Customs code | 29062900 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 23-24/25-36 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H302 |
| REACH registrations | Active |
| GHS precautionary statements | P280f |
Applications & Uses
Description
β-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.
Uses
2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.
General Description
The mass spectra of 2-phenyl-1-propanol was studied by positive- and negative-ion-fast atom bombardment-mass spectrometric ionization technique.
Preparation & Synthesis
Preparation
By reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known