Introduction：Basic information about CAS 121-98-2|Methyl anisate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl anisate |
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| CAS Number | 121-98-2 | Molecular Weight | 166.174 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 244 ºC |
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| Molecular Formula | C9H10O3 | Melting Point | 48-51 ºC |
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| MSDS | ChineseUSA | Flash Point | 98.1±14.4 °C |
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Names
| Name | methyl p-anisate |
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| Synonym | More Synonyms |
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Methyl anisate BiologicalActivity
| Description | Methyl anisate is an endogenous metabolite. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 244 ºC |
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| Melting Point | 48-51 ºC |
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| Molecular Formula | C9H10O3 |
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| Molecular Weight | 166.174 |
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| Flash Point | 98.1±14.4 °C |
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| Exact Mass | 166.062988 |
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| PSA | 35.53000 |
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| LogP | 2.27 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.503 |
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| InChIKey | DDIZAANNODHTRB-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1ccc(OC)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- BZ4925000
- CHEMICAL NAME :
- p-Anisic acid, methyl ester
- CAS REGISTRY NUMBER :
- 121-98-2
- BEILSTEIN REFERENCE NO. :
- 2208571
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H10-O3
- MOLECULAR WEIGHT :
- 166.19
- WISWESSER LINE NOTATION :
- 1OVR DO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,481,1976 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,481,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,481,1976
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | BZ4925000 |
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| Packaging Group | III |
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| HS Code | 2918990090 |
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Customs
| HS Code | 2918990090 |
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| 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% |
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Articles4
More Articles
| Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives. Bioorg. Med. Chem. Lett. 21 , 2521-6, (2011) The inhibition of the β-carbonic anhydrases (CAs, EC 4.2.1.1) from the pathogenic fungi Cryptococcus neoformans (Can2) and Candida albicans (Nce103) with a series of 25 branched aliphatic and aromatic... | |
| Validating a breath collection and analysis system for the new tuberculosis breath test. J. Breath Res. 7(3) , 037108, (2013) Mycobacterium tuberculosis releases four volatile compounds, methyl phenyl-acetate, methyl nicotinate, methyl p-anisate and o-phenylanisole, some of which we have previously been reported to be detect... | |
| Diagnostic potential of the pulsed discharged helium ionization detector (PDHID) for pathogenic Mycobacterial volatile biomarkers. J. Breath Res. 7(3) , 037107, (2013) Pathogenic Mycobacteria cause diseases in animals and humans with significant economic and societal consequences. Current methods for Mycobacterial detection relies upon time- and labor-intensive tech... | |
Synonyms
| Methylanisate |
| Benzoic acid, 4-methoxy-, methyl ester |
| p-Anisic acid methyl ester |
| METHYL-4-METHOXY BENZOATE |
| 4-METHOXYBENZOIC ACID METHYL ESTER |
| Methyl p-Anisate |
| Methyl 4-methoxybenzoate |
| METHYL P-METHOXYBENZOATE |
| METHYL-4-METHOXYBENZOATE |
| METHYL 4-METHOXYBENZOATE (METHYL P-ANISATE) |
| Methyl Anisate |
| EINECS 204-513-2 |
| METHYL 4-METHOXYBENZOATE/4-METHOXYBENZOIC ACID METHYL ESTER/METHYL P-ANISATE |
| MFCD00008437 |
| METHYL-P-METHOXY BENZOATE |
| METHYL-P-ANISATE |
| METHYL P-ANISATE (METHYL P-METHOXYBENZOATE) |
| p-Anisic acid methyl ester,Methyl 4-methoxybenzoate |
| 4-METHOXYL BENZOIC ACID METHYL ESTER |
| ANISIC ACID METHYL ESTER |
| BENZOIC ACID,4-METHOXY-, METHYL ESTER |
| METHYL4-METHOXYBENZOATE |
