Butylbenzene
Butylbenzene structure
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Common Name | Butylbenzene | ||
|---|---|---|---|---|
| CAS Number | 104-51-8 | Molecular Weight | 134.21800 | |
| Density | 0.86 g/mL at 25 °C(lit.) | Boiling Point | 183 °C(lit.) | |
| Molecular Formula | C10H14 | Melting Point | -88 °C | |
| MSDS | Chinese USA | Flash Point | 139 °F | |
| Symbol |
GHS02, GHS06, GHS08 |
Signal Word | Danger | |
Summary: Butylbenzene, also known as 丁苯，has a CAS number of 104-51-8, with a molecular formula of C10H14 and a molecular weight of 134.21800. It is a colorless liquid with a melting point of -88°C and a boiling point of 183°C. 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 | butylbenzene |
|---|---|
| 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 | 0.86 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 183 °C(lit.) |
| Melting Point | -88 °C |
| Molecular Formula | C10H14 |
| Molecular Weight | 134.21800 |
| Flash Point | 139 °F |
| Exact Mass | 134.11000 |
| LogP | 3.02920 |
| Vapour density | >1 (vs air) |
| Vapour Pressure | 1.03 mm Hg ( 23 °C) |
| Index of Refraction | n20/D 1.489(lit.) |
| InChIKey | OCKPCBLVNKHBMX-UHFFFAOYSA-N |
| SMILES | CCCCc1ccccc1 |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents. |
| Water Solubility | INSOLUBLE |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370-H412 |
| Precautionary Statements | P210-P260-P273-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US) |
| Hazard Codes | F,T |
| Risk Phrases | R10 |
| Safety Phrases | S16-S45-S36/37-S7 |
| RIDADR | UN 2709 3/PG 3 |
| WGK Germany | 3 |
| RTECS | CY9070000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2902909090 |
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 10 | |
|---|---|
| DownStream 10 | |
CAS#:41492-05-1
CAS#:495-40-9
CAS#:557-20-0
CAS#:693-04-9
CAS#:108-90-7
CAS#:81631-74-5
CAS#:73475-33-9
CAS#:108-86-1
CAS#:4426-47-5
CAS#:542-69-8
CAS#:10531-16-5
CAS#:4830-93-7
CAS#:27059-40-1
CAS#:4830-94-8
CAS#:27059-41-2
CAS#:13397-98-3
CAS#:54887-20-6
CAS#:37920-25-5
CAS#:100883-29-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2902909090 |
|---|---|
| Summary | 2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
Eur. J. Med. Chem. 43 , 714-40, (2008) Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org... |
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Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.
J. Chromatogr. A. 1392 , 82-90, (2015) Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct ... |
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Evaluation of detection sensitivity in comprehensive two-dimensional liquid chromatography separations of an active pharmaceutical ingredient and its degradants.
Anal. Bioanal. Chem 407(1) , 265-77, (2015) In this paper, we describe the findings of a study aimed at assessing the detection sensitivity of comprehensive two-dimensional high-performance liquid chromatography (LCxLC) separation of a degraded... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| n-Butylbenzene |
| butyl-benzene |
| EINECS 203-209-7 |
| MFCD00009463 |
| 4-n-butyl-benzene |
| 1-Phenylbutane |
| Butylbenzene |
| 4-phenyl butane |
| Benzene,butyl |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of butylbenzene? |
| A: The English name of butylbenzene is butylbenzene. |
| Q: What is the molecular weight of butylbenzene? |
| A: Molecular weight of butylbenzene is 134.21800. |
| Q: What is the LogP of butylbenzene? |
| A: LogP of butylbenzene is 3.02920. |
| Q: What is the boiling point of butylbenzene? |
| A: Boiling point of butylbenzene is 183 °C(lit.). |
| Q: What is the SMILES notation of butylbenzene? |
| A: SMILES notation of butylbenzene is CCCCc1ccccc1. |
| Q: What is the InChIKey of butylbenzene? |
| A: InChIKey of butylbenzene is OCKPCBLVNKHBMX-UHFFFAOYSA-N. |
| Q: How is the water solubility of butylbenzene? |
| A: Water solubility of butylbenzene: INSOLUBLE. |
| Q: What English synonyms does butylbenzene have? |
| A: English synonyms of butylbenzene: n-Butylbenzene, butyl-benzene, EINECS 203-209-7, MFCD00009463, 4-n-butyl-benzene, 1-Phenylbutane, Butylbenzene, 4-phenyl butane, Benzene,butyl. |
| Q: What are the upstream materials of butylbenzene? |
| A: Related upstream materials(CAS) of butylbenzene: 41492-05-1;495-40-9;557-20-0;693-04-9;108-90-7;81631-74-5;73475-33-9;108-86-1;4426-47-5;542-69-8. |
| Q: What is the CAS number of butylbenzene? |
| A: CAS number of butylbenzene is 104-51-8. |
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. |
| Henan Tianfu Chemical Co., Ltd. |