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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

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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