Allyl caproate
Names
[ CAS No. ]:
123-68-2
[ Name ]:
Allyl caproate
[Synonym ]:
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
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
186.0±0.0 °C at 760 mmHg
[ Molecular Formula ]:
C9H16O2
[ Molecular Weight ]:
156.222
[ Flash Point ]:
66.1±0.0 °C
[ Exact Mass ]:
156.115036
[ PSA ]:
26.30000
[ LogP ]:
3.12
[ Vapour Pressure ]:
0.7±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.429
[ Water Solubility ]:
PRACTICALLY INSOLUBLE
MSDS
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 DATA
ACUTE 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)
Safety Information
[ Symbol ]:
GHS06, GHS09
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301 + H311-H411
[ Precautionary Statements ]:
P273-P280-P312
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T:Toxic
[ Risk Phrases ]:
R22;R24;R51/53
[ Safety Phrases ]:
S36/37-S45-S61
[ RIDADR ]:
UN 2810 6.1/PG 3
[ WGK Germany ]:
2
[ RTECS ]:
MO6125000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)
[ HS Code ]:
29159080
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2915900090
[ 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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