anisyl butyrate
anisyl butyrate structure
|
Common Name | anisyl butyrate | ||
|---|---|---|---|---|
| CAS Number | 6963-56-0 | Molecular Weight | 208.25 | |
| Density | 1.045g/cm3 | Boiling Point | 286.5ºC at 760 mmHg | |
| Molecular Formula | C12H16O3 | Melting Point | N/A | |
| MSDS | USA | Flash Point | 115.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | anisyl butyrate |
|---|---|
| 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 | 1.045g/cm3 |
|---|---|
| Boiling Point | 286.5ºC at 760 mmHg |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.25 |
| Flash Point | 115.5ºC |
| Exact Mass | 208.109944368 |
| PSA | 35.53000 |
| LogP | 2.40070 |
| Index of Refraction | 1.495 |
| InChIKey | MEPOOZLETHNMSR-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OCC1=CC=C(C=C1)OC |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| RIDADR | NONH for all modes of transport |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~81%
anisyl butyrate CAS#:6963-56-0 |
| Literature: Chatterjee, Tanmay; Saha, Debasree; Ranu, Brindaban C. Tetrahedron Letters, 2012 , vol. 53, # 32 p. 4142 - 4144 |
|
~48%
anisyl butyrate CAS#:6963-56-0
Detail
Learn More
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| Literature: Tetrahedron Letters, , vol. 31, # 16 p. 2273 - 2276 |
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~%
anisyl butyrate CAS#:6963-56-0 |
| Literature: Tetrahedron, , vol. 32, p. 2967 - 2971 |
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~%
anisyl butyrate CAS#:6963-56-0 |
| Literature: Bulletin de la Societe Chimique de France, , vol. <4> 15, p. 171 |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Organoleptic Characteristics of Flavor Materials Michalski, J.
Perfum. Flavor. 38(11) , 42, (2013)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
|
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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.
| 1-butyryloxymethyl-4-methoxy-benzene |
| 1-Butyryloxymethyl-4-methoxy-benzol |
| Anisylbutyrat |
| Butanoic acid 4-methoxybenzyl ester |
| p-Methoxybenzylbutyrate |
| Butyric acid,p-methoxybenzyl ester |
| FEMA 2100 |
| 4-Methoxybenzyl butanoate |
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 anisyl butyrate? |
| A: The English name of anisyl butyrate is anisyl butyrate. |
| Q: What English synonyms does anisyl butyrate have? |
| A: English synonyms of anisyl butyrate: 1-butyryloxymethyl-4-methoxy-benzene, 1-Butyryloxymethyl-4-methoxy-benzol, Anisylbutyrat, Butanoic acid 4-methoxybenzyl ester, p-Methoxybenzylbutyrate, Butyric acid,p-methoxybenzyl ester, FEMA 2100, 4-Methoxybenzyl butanoate. |
| Q: What is the CAS number of anisyl butyrate? |
| A: CAS number of anisyl butyrate is 6963-56-0. |
| Q: What is the molecular formula of anisyl butyrate? |
| A: Molecular formula of anisyl butyrate is C12H16O3. |
| Q: What is the InChIKey of anisyl butyrate? |
| A: InChIKey of anisyl butyrate is MEPOOZLETHNMSR-UHFFFAOYSA-N. |
| Q: What is the molecular weight of anisyl butyrate? |
| A: Molecular weight of anisyl butyrate is 208.25. |
| Q: What is the SMILES notation of anisyl butyrate? |
| A: SMILES notation of anisyl butyrate is CCCC(=O)OCC1=CC=C(C=C1)OC. |
| Q: What is the polar surface area (PSA) of anisyl butyrate? |
| A: Polar surface area (PSA) of anisyl butyrate is 35.53000. |
| Q: What is the LogP of anisyl butyrate? |
| A: LogP of anisyl butyrate is 2.40070. |
| Q: What is the boiling point of anisyl butyrate? |
| A: Boiling point of anisyl butyrate is 286.5ºC at 760 mmHg. |
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. |