Introduction：Basic information about CAS 774-40-3|ethyl mandelate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ethyl mandelate |
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| CAS Number | 774-40-3 | Molecular Weight | 180.20000 |
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| Density | 1.115 g/mL at 25ºC(lit.) | Boiling Point | 254ºC at 760 mmHg |
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| Molecular Formula | C10H12O3 | Melting Point | 37ºC |
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| MSDS | / | Flash Point | 118.1ºC |
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Names
| Name | ethyl hydroxy(phenyl)acetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.115 g/mL at 25ºC(lit.) |
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| Boiling Point | 254ºC at 760 mmHg |
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| Melting Point | 37ºC |
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| Molecular Formula | C10H12O3 |
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| Molecular Weight | 180.20000 |
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| Flash Point | 118.1ºC |
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| Exact Mass | 180.07900 |
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| PSA | 46.53000 |
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| LogP | 1.28310 |
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| Index of Refraction | n20/D 1.512(lit.) |
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| InChIKey | SAXHIDRUJXPDOD-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)C(O)c1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OO7397000
- CHEMICAL NAME :
- Mandelic acid, ethyl ester
- CAS REGISTRY NUMBER :
- 774-40-3
- BEILSTEIN REFERENCE NO. :
- 0975233
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H12-O3
- MOLECULAR WEIGHT :
- 180.22
- WISWESSER LINE NOTATION :
- QYR&VO2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,347,1962
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36 |
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| Safety Phrases | 37/39-26 |
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| WGK Germany | 2 |
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| RTECS | OO7397000 |
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Synonyms
| Ethyl-hydroxybenzeneacetate |
| MFCD00004494 |
| ETHYL DL-MANDELATE |
| DL-ETHYL MANDELATE |
| ETHYL MANDELATE |
| EINECS 212-263-0 |
| MANDELIC ACID ETHYL ESTER |
| ETHYL PHENYLGLYCOLATE |
| Mandelsaeureaethylester |
| l-hydroxyphenylacetate |
| Benzeneacetic acid, a-hydroxy-, ethyl ester |
| mandelic ethyl ester |
