Introduction：Basic information about CAS 112-14-1|Octyl acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Octyl acetate |
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| CAS Number | 112-14-1 | Molecular Weight | 172.265 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 210.3±3.0 °C at 760 mmHg |
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| Molecular Formula | C10H20O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 86.1±0.0 °C |
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Names
| Name | octyl acetate |
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| Synonym | More Synonyms |
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Octyl acetate BiologicalActivity
| Description | Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Carroll MJ, et al. Heritability estimates for octyl acetate and octyl butyrate in the mature fruit of the wild parsnip. J Hered. 2000 Jan-Feb;91(1):68-71. |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 210.3±3.0 °C at 760 mmHg |
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| Molecular Formula | C10H20O2 |
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| Molecular Weight | 172.265 |
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| Flash Point | 86.1±0.0 °C |
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| Exact Mass | 172.146332 |
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| PSA | 26.30000 |
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| LogP | 3.90 |
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| Vapour density | 5.9 (vs air) |
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| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
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| Index of Refraction | 1.423 |
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| InChIKey | YLYBTZIQSIBWLI-UHFFFAOYSA-N |
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| SMILES | CCCCCCCCOC(C)=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AJ1400000
- CHEMICAL NAME :
- Acetic acid, octyl ester
- CAS REGISTRY NUMBER :
- 112-14-1
- BEILSTEIN REFERENCE NO. :
- 1754554
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H20-O2
- MOLECULAR WEIGHT :
- 172.30
- WISWESSER LINE NOTATION :
- 8OV1
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: 12,805,1974 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 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: 12,815,1974
- 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: 12,815,1974
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Safety Information
| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25 |
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| WGK Germany | 2 |
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| RTECS | AJ1400000 |
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| HS Code | 2915390090 |
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Customs
| HS Code | 2915390090 |
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| Summary | 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| Acetic acid, octyl ester |
| n-Octyl ethanoate |
| EINECS 203-939-6 |
| ACETIC ACID OCTYL ESTER |
| Octyl ethanoate |
| Acetic acid n-octyl ester |
| 1-Octyl acetate |
| Caprylyl acetate |
| Capryl acetate |
| n-Octyl Acetate |
| MFCD00009562 |
| Octyl acetate |
| n-Octanyl acetate |
