Introduction：Basic information about CAS 2051-78-7|allyl butyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | allyl butyrate |
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| CAS Number | 2051-78-7 | Molecular Weight | 128.16900 |
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| Density | 0.902 g/mL at 25 °C(lit.) | Boiling Point | 44-45 °C15 mm Hg(lit.) |
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| Molecular Formula | C7H12O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 107 °F |
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| Symbol |
GHS02, GHS06 | Signal Word | Danger |
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Names
| Name | prop-2-enyl butanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.902 g/mL at 25 °C(lit.) |
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| Boiling Point | 44-45 °C15 mm Hg(lit.) |
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| Molecular Formula | C7H12O2 |
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| Molecular Weight | 128.16900 |
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| Flash Point | 107 °F |
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| Exact Mass | 128.08400 |
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| PSA | 26.30000 |
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| LogP | 1.51570 |
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| Vapour Pressure | 4.44mmHg at 25°C |
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| Index of Refraction | n20/D 1.414(lit.) |
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| InChIKey | RMZIOVJHUJAAEY-UHFFFAOYSA-N |
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| SMILES | C=CCOC(=O)CCC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ES5775000
- CHEMICAL NAME :
- Butyric acid, allyl ester
- CAS REGISTRY NUMBER :
- 2051-78-7
- BEILSTEIN REFERENCE NO. :
- 1751642
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C7-H12-O2
- MOLECULAR WEIGHT :
- 128.19
- WISWESSER LINE NOTATION :
- 3VO2U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,613,1977
- 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: 15,613,1977 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,378,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 530 mg/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: 15,613,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 11340 mg/kg/18W-I
- TOXIC EFFECTS :
- Liver - multiple effects Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB234-882
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Safety Information
| Symbol |
GHS02, GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H226-H301 + H311-H315-H319-H335 |
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| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338-P312 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn |
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| Risk Phrases | R10 |
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| Safety Phrases | S16-S26-S36/37 |
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| RIDADR | UN 1992 3/PG 3 |
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| WGK Germany | 3 |
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| RTECS | ES5775000 |
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| Packaging Group | III |
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| Hazard Class | 3.2 |
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Synonyms
| Allyl butanoate |
| allyl butyrate |
| 2-Propenyl butanoate |
| FEMA No. 2021 |
| butanoic acid 2-propenyl ester |
| Buttersaeure-allylester |
| allyl n-butyrate |
| Allylbutyrat |
| MFCD00009395 |
| EINECS 218-129-8 |
| Vinyl carbinyl butyrate |
| 2-Propen-1-yl butanoate |
| butyric acid allyl ester |
