Allyl acetate

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Names

[ CAS No. ]:
591-87-7

[ Name ]:
Allyl acetate

[Synonym ]:
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

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
104.0±0.0 °C at 760 mmHg

[ Melting Point ]:
6°C

[ Molecular Formula ]:
C5H8O2

[ Molecular Weight ]:
100.116

[ Flash Point ]:
6.7±0.0 °C

[ Exact Mass ]:
100.052429

[ PSA ]:
26.30000

[ LogP ]:
0.99

[ Vapour Pressure ]:
31.4±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.402

[ Water Solubility ]:
slightly

MSDS

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 Word ]:
Danger

[ Hazard Statements ]:
H225-H301-H312-H319-H330

[ Precautionary Statements ]:
P210-P260-P280-P284-P301 + P310-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable;T:Toxic;

[ Risk Phrases ]:
R11;R21;R25

[ Safety Phrases ]:
S16-S26-S36-S45-S27

[ RIDADR ]:
UN 2333 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
AF1750000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
29153990

Synthetic Route

Precursor & DownStream

Precursor

  • acetic acid
  • ALLYL CHLORIDE
  • Ethanoic anhydride
  • Allyl alcohol
  • propene
  • Acetyl chloride
  • Allylbenzene
  • (2Z)-2-Butene-1,4-diyl diacetate
  • Potassium acetate
  • allyl bromide

DownStream

  • dimethyl 2-but-1-ynyl-2-prop-1-enylpropanedioate
  • Bicyclo[2.2.1]hept-5-ene-2-methanol,2-acetate
  • Benzamide, 4-(2-propenyl)- (9CI)
  • Benzamide
  • 2-allyl-4-(2-(4-hydroxyphenyl)propane-2-yl)phenol
  • Diallyl bisphenol A
  • 4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enylphenol
  • (3-BROMOPROPOXY)-TERT-BUTYLDIMETHYLSILANE
  • Bisphenol A diallyl ether
  • 5-but-3-enylideneoxolan-2-one

Customs

[ HS Code ]: 2915390090

[ 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%


Related Compounds

  • PHENYL ALLYL ACETATE
  • 3,3-Dimethylallyl acetate
  • 1-(1-naphthyl)allyl acetate
  • 1-(4-chlorophenyl)allyl acetate
  • 1-methyl-3-phenyl allyl acetate
  • trans-1,3-diphenylallyl acetate