Introduction：Basic information about CAS 123-68-2|Allyl caproate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Allyl caproate |
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| CAS Number | 123-68-2 | Molecular Weight | 156.222 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 186.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C9H16O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 66.1±0.0 °C |
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| Symbol |
GHS06, GHS09 | Signal Word | Danger |
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Names
| Name | Allyl hexanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 186.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C9H16O2 |
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| Molecular Weight | 156.222 |
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| Flash Point | 66.1±0.0 °C |
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| Exact Mass | 156.115036 |
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| PSA | 26.30000 |
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| LogP | 3.12 |
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| Vapour Pressure | 0.7±0.3 mmHg at 25°C |
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| Index of Refraction | 1.429 |
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| InChIKey | RCSBILYQLVXLJG-UHFFFAOYSA-N |
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| SMILES | C=CCOC(=O)CCCCC |
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| Water Solubility | PRACTICALLY INSOLUBLE |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO6125000
- CHEMICAL NAME :
- Hexanoic acid, allyl ester
- CAS REGISTRY NUMBER :
- 123-68-2
- BEILSTEIN REFERENCE NO. :
- 1761920
- LAST UPDATED :
- 199804
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C9-H16-O2
- MOLECULAR WEIGHT :
- 156.25
- WISWESSER LINE NOTATION :
- 5VO2U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 218 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 280 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - changes in structure or function of salivary glands
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 219 gm/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
MUTATION DATA - TYPE OF TEST :
- Gene conversion and mitotic recombination
- TEST SYSTEM :
- Bacteria - Bacillus subtilis
- DOSE/DURATION :
- 18 ug/disc
- REFERENCE :
- OEKSDJ Osaka-furitsu Koshu Eisei Kenkyusho Kenkyu Hokoku, Shokuhin Eisei Hen. Research Reports of the Osaka Prefectural Institute of Public Health, Food Sanitation Section. (Osaka-furitsu Koshu Eisei Kenkyusho, 1-3-69 Nakamichi, Higashinari-ku, Osaka 537, Japan) No.1- 1970- Volume(issue)/page/year: 9,177,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5034 No. of Facilities: 2949 (estimated) No. of Industries: 25 No. of Occupations: 34 No. of Employees: 38592 (estimated) No. of Female Employees: 24656 (estimated)
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Safety Information
| Symbol |
GHS06, GHS09 |
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| Signal Word | Danger |
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| Hazard Statements | H301 + H311-H411 |
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| Precautionary Statements | P273-P280-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 | T:Toxic |
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| Risk Phrases | R22;R24;R51/53 |
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| Safety Phrases | S36/37-S45-S61 |
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| RIDADR | UN 2810 6.1/PG 3 |
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| WGK Germany | 2 |
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| RTECS | MO6125000 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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| HS Code | 29159080 |
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Customs
| HS Code | 2915900090 |
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| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% 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
| EINECS 204-642-4 |
| hexanoic acid allyl ester |
| hexanoic acid prop-2-enyl ester |
| Hexanoic acid, allyl ester |
| 2-Propenyl n-hexanoate |
| Hexanoic acid, 2-propen-1-yl ester |
| prop-2-enyl hexanoate |
| MFCD00038339 |
| 2-propenyl hexanoate |
| Allyl n-caproate |
| Hexanoic acid, 2-propenyl ester |
| Allyl n-hexanoate |
| UNII-3VH84A363D |
| Allyl hexanoate |
| Allyl caproate |
| prop-2-en-1-yl hexanoate |
