CAS 591-87-7|Allyl acetate

Introduction:Basic information about CAS 591-87-7|Allyl acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameAllyl acetate
CAS Number591-87-7Molecular Weight100.116
Density0.9±0.1 g/cm3Boiling Point104.0±0.0 °C at 760 mmHg
Molecular FormulaC5H8O2Melting Point6°C
MSDSChineseUSAFlash Point6.7±0.0 °C
Symbol
GHS02, GHS06
Signal WordDanger

Names

NameAllyl acetate
SynonymMore Synonyms

Chemical & Physical Properties

Density0.9±0.1 g/cm3
Boiling Point104.0±0.0 °C at 760 mmHg
Melting Point6°C
Molecular FormulaC5H8O2
Molecular Weight100.116
Flash Point6.7±0.0 °C
Exact Mass100.052429
PSA26.30000
LogP0.99
Vapour Pressure31.4±0.1 mmHg at 25°C
Index of Refraction1.402
InChIKeyFWZUNOYOVVKUNF-UHFFFAOYSA-N
SMILESC=CCOC(C)=O
Water Solubilityslightly

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF1750000
CHEMICAL NAME :
Acetic acid, allyl ester
CAS REGISTRY NUMBER :
591-87-7
BEILSTEIN REFERENCE NO. :
1742050
LAST UPDATED :
199806
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C5-H8-O2
MOLECULAR WEIGHT :
100.13
WISWESSER LINE NOTATION :
1VO2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,355,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,355,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1000 ppm/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 21,28,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1021 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 2 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4803 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 4280 (estimated) No. of Female Employees: 1701 (estimated)

Safety Information

Symbol
GHS02, GHS06
Signal WordDanger
Hazard StatementsH225-H301-H312-H319-H330
Precautionary StatementsP210-P260-P280-P284-P301 + P310-P305 + P351 + P338
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesF:Flammable;T:Toxic;
Risk PhrasesR11;R21;R25
Safety PhrasesS16-S26-S36-S45-S27
RIDADRUN 2333 3/PG 2
WGK Germany3
RTECSAF1750000
Packaging GroupII
Hazard Class3
HS Code29153990

Customs

HS Code2915390090
Summary2915390090. 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%

Synonyms

AcOCH2CH=CH2
EINECS 209-734-8
Allyl acetate
allyl p-methylbenzoate
ethylene,methyl acetate
p-Toluic acid,allyl ester
allyl 4-methyl benzoate
prop-2-enyl acetate
prop-2-en-1-yl 4-methylbenzoate
CH2=CHCH2OAc
allyl toluate
MFCD00008721
4-Methyl-benzoesaeure-allylester
Acetic acid, 2-propen-1-yl ester
4-methyl-benzoic acid allyl ester
prop-2-en-1-yl acetate
2-propenyl acetate
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