3-Methylbenzyl alcohol
3-Methylbenzyl alcohol structure
|
Common Name | 3-Methylbenzyl alcohol | ||
|---|---|---|---|---|
| CAS Number | 587-03-1 | Molecular Weight | 122.16400 | |
| Density | 1.015 g/mL at 25 °C(lit.) | Boiling Point | 215 °C740 mm Hg(lit.) | |
| Molecular Formula | C8H10O | Melting Point | N/A | |
| MSDS | USA | Flash Point | 222 °F | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Methylbenzyl alcohol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.015 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 215 °C740 mm Hg(lit.) |
| Molecular Formula | C8H10O |
| Molecular Weight | 122.16400 |
| Flash Point | 222 °F |
| Exact Mass | 122.07300 |
| PSA | 20.23000 |
| LogP | 1.48730 |
| Index of Refraction | n20/D 1.534(lit.) |
| InChIKey | JJCKHVUTVOPLBV-UHFFFAOYSA-N |
| SMILES | Cc1cccc(CO)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2906299090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:620-23-5
CAS#:99-04-7
CAS#:134-62-3
CAS#:100-81-2
CAS#:99-36-5
CAS#:108-38-3
CAS#:134390-32-2
CAS#:632-46-2
CAS#:591-17-3
CAS#:14503-41-4
CAS#:1875-89-4
CAS#:108-88-3
CAS#:618-47-3
CAS#:620-50-8
CAS#:15429-17-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2906299090 |
|---|---|
| Summary | 2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
The logic layout of the TOL network of Pseudomonas putida pWW0 plasmid stems from a metabolic amplifier motif (MAM) that optimizes biodegradation of m-xylene.
BMC Syst. Biol. 5 , 191, (2011) The genetic network of the TOL plasmid pWW0 of the soil bacterium Pseudomonas putida mt-2 for catabolism of m-xylene is an archetypal model for environmental biodegradation of aromatic pollutants. Alt... |
|
|
Benzylic and aryl hydroxylations of m-xylene by o-xylene dioxygenase from Rhodococcus sp. strain DK17.
Appl. Microbiol. Biotechnol. 86(6) , 1841-7, (2010) Escherichia coli cells expressing Rhodococcus DK17 o-xylene dioxygenase genes were used for bioconversion of m-xylene. Gas chromatography-mass spectrometry analysis of the oxidation products detected ... |
|
|
Urinalysis of minor metabolites of ethylbenzene and m-xylene.
Scand. J. Work. Environ. Health 10(2) , 75-81, (1984) Gas chromatographic methods have been developed for the urinalysis of metabolic products of ethylbenzene. "Minor" metabolites were emphasized in this process. The methods were worked out so that simul... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 209-595-3 |
| (3-methylphenyl)methanol |
| MFCD00004646 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3-Methylbenzyl alcohol? |
| A: Molecular weight of 3-Methylbenzyl alcohol is 122.16400. |
| Q: What is the molecular formula of 3-Methylbenzyl alcohol? |
| A: Molecular formula of 3-Methylbenzyl alcohol is C8H10O. |
| Q: What is the SMILES notation of 3-Methylbenzyl alcohol? |
| A: SMILES notation of 3-Methylbenzyl alcohol is Cc1cccc(CO)c1. |
| Q: What is the boiling point of 3-Methylbenzyl alcohol? |
| A: Boiling point of 3-Methylbenzyl alcohol is 215 °C740 mm Hg(lit.). |
| Q: What are the downstream products of 3-Methylbenzyl alcohol? |
| A: Related downstream products(CAS) of 3-Methylbenzyl alcohol: 14503-41-4;108-38-3;1875-89-4;108-88-3;620-23-5;99-36-5;618-47-3;620-50-8;15429-17-1;99-04-7. |
| Q: What is the InChIKey of 3-Methylbenzyl alcohol? |
| A: InChIKey of 3-Methylbenzyl alcohol is JJCKHVUTVOPLBV-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-Methylbenzyl alcohol? |
| A: Polar surface area (PSA) of 3-Methylbenzyl alcohol is 20.23000. |
| Q: What English synonyms does 3-Methylbenzyl alcohol have? |
| A: English synonyms of 3-Methylbenzyl alcohol: EINECS 209-595-3, (3-methylphenyl)methanol, MFCD00004646. |
| Q: What is the CAS number of 3-Methylbenzyl alcohol? |
| A: CAS number of 3-Methylbenzyl alcohol is 587-03-1. |
| Q: What are the upstream materials of 3-Methylbenzyl alcohol? |
| A: Related upstream materials(CAS) of 3-Methylbenzyl alcohol: 620-23-5;99-04-7;134-62-3;100-81-2;99-36-5;108-38-3;134390-32-2;632-46-2;591-17-3. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |