Benzoic acid,4-(3-methylbutoxy)
Benzoic acid,4-(3-methylbutoxy) structure
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Common Name | Benzoic acid,4-(3-methylbutoxy) | ||
|---|---|---|---|---|
| CAS Number | 2910-85-2 | Molecular Weight | 208.25400 | |
| Density | 1.082g/cm3 | Boiling Point | 326.8ºC at 760mmHg | |
| Molecular Formula | C12H16O3 | Melting Point | 142-144ºC | |
| MSDS | N/A | Flash Point | 121.5ºC | |
Summary: 4-(3-methylbutoxy)benzoic acid, also known as Benzoic acid, 4-(3-methylbutoxy)-, has a molecular formula of C12H16O3 and a molecular weight of 208.25400, with a CAS number of 2910-85-2. The melting point is 142-144℃, boiling point is 326.8℃, and the density is 1.082g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(3-methylbutoxy)benzoic acid |
|---|---|
| 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 | 1.082g/cm3 |
|---|---|
| Boiling Point | 326.8ºC at 760mmHg |
| Melting Point | 142-144ºC |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.25400 |
| Flash Point | 121.5ºC |
| Exact Mass | 208.11000 |
| PSA | 46.53000 |
| LogP | 2.80970 |
| Vapour Pressure | 8.58E-05mmHg at 25°C |
| Index of Refraction | 1.518 |
| InChIKey | YNYYRDUFMDDJMV-UHFFFAOYSA-N |
| SMILES | CC(C)CCOc1ccc(C(=O)O)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2918990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Benzoic acid,4-... CAS#:2910-85-2 |
| Literature: Lauer; Moe Journal of the American Chemical Society, 1943 , vol. 65, p. 289,292 |
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Benzoic acid,4-... CAS#:2910-85-2 |
| Literature: Rohmann; Haas; Bergstermann Archiv der Pharmazie (Weinheim, Germany), 1940 , vol. 278, p. 425,434 |
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Benzoic acid,4-... CAS#:2910-85-2 |
| Literature: McElvain; Carney Journal of the American Chemical Society, 1946 , vol. 68, p. 2592,2599 |
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Benzoic acid,4-... CAS#:2910-85-2 |
| Literature: Cohen; Dudley Journal of the Chemical Society, 1910 , vol. 97, p. 1747 |
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Benzoic acid,4-... CAS#:2910-85-2 |
| Literature: Cohen; Dudley Journal of the Chemical Society, 1910 , vol. 97, p. 1747 |
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Benzoic acid,4-... CAS#:2910-85-2 |
| Literature: Cohen; Dudley Journal of the Chemical Society, 1910 , vol. 97, p. 1747 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Isopentyloxy-benzoesaeure |
| 4-(3-methylbutoxy)-benzoic acid |
| 4-Isoamyloxy-benzoesaeure |
| 4-(isopentyloxy)benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 4-(3-methylbutoxy)benzoic acid? |
| A: Boiling point of 4-(3-methylbutoxy)benzoic acid is 326.8ºC at 760mmHg. |
| Q: What is the melting point of 4-(3-methylbutoxy)benzoic acid? |
| A: Melting point of 4-(3-methylbutoxy)benzoic acid is 142-144ºC. |
| Q: What is the CAS number of 4-(3-methylbutoxy)benzoic acid? |
| A: CAS number of 4-(3-methylbutoxy)benzoic acid is 2910-85-2. |
| Q: What is the LogP of 4-(3-methylbutoxy)benzoic acid? |
| A: LogP of 4-(3-methylbutoxy)benzoic acid is 2.80970. |
| Q: What are the upstream materials of 4-(3-methylbutoxy)benzoic acid? |
| A: Related upstream materials(CAS) of 4-(3-methylbutoxy)benzoic acid: 99-76-3;107-82-4;120-47-8;541-28-6;408340-71-6. |
| Q: What is the SMILES notation of 4-(3-methylbutoxy)benzoic acid? |
| A: SMILES notation of 4-(3-methylbutoxy)benzoic acid is CC(C)CCOc1ccc(C(=O)O)cc1. |
| Q: What is the molecular formula of 4-(3-methylbutoxy)benzoic acid? |
| A: Molecular formula of 4-(3-methylbutoxy)benzoic acid is C12H16O3. |
| Q: What is the InChIKey of 4-(3-methylbutoxy)benzoic acid? |
| A: InChIKey of 4-(3-methylbutoxy)benzoic acid is YNYYRDUFMDDJMV-UHFFFAOYSA-N. |
| Q: What is the English name of 4-(3-methylbutoxy)benzoic acid? |
| A: The English name of 4-(3-methylbutoxy)benzoic acid is 4-(3-methylbutoxy)benzoic acid. |
| Q: What English synonyms does 4-(3-methylbutoxy)benzoic acid have? |
| A: English synonyms of 4-(3-methylbutoxy)benzoic acid: 4-Isopentyloxy-benzoesaeure, 4-(3-methylbutoxy)-benzoic acid, 4-Isoamyloxy-benzoesaeure, 4-(isopentyloxy)benzoic acid. |
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. |