allyl butyrate

Modify Date: 2024-01-04 19:11:20

allyl butyrate Structure
allyl butyrate structure
Common Name allyl butyrate
CAS Number 2051-78-7 Molecular Weight 128.16900
Density 0.902 g/mL at 25 °C(lit.) Boiling Point 44-45 °C15 mm Hg(lit.)
Molecular Formula C7H12O2 Melting Point N/A
MSDS Chinese USA Flash Point 107 °F
Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger

 Names

Name prop-2-enyl butanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.902 g/mL at 25 °C(lit.)
Boiling Point 44-45 °C15 mm Hg(lit.)
Molecular Formula C7H12O2
Molecular Weight 128.16900
Flash Point 107 °F
Exact Mass 128.08400
PSA 26.30000
LogP 1.51570
Vapour Pressure 4.44mmHg at 25°C
Index of Refraction n20/D 1.414(lit.)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES5775000
CHEMICAL NAME :
Butyric acid, allyl ester
CAS REGISTRY NUMBER :
2051-78-7
BEILSTEIN REFERENCE NO. :
1751642
LAST UPDATED :
199803
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H12-O2
MOLECULAR WEIGHT :
128.19
WISWESSER LINE NOTATION :
3VO2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,613,1977
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,613,1977 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,378,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,613,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11340 mg/kg/18W-I
TOXIC EFFECTS :
Liver - multiple effects Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB234-882

 Safety Information

Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger
Hazard Statements H226-H301 + H311-H315-H319-H335
Precautionary Statements P261-P280-P301 + P310-P305 + P351 + P338-P312
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn
Risk Phrases R10
Safety Phrases S16-S26-S36/37
RIDADR UN 1992 3/PG 3
WGK Germany 3
RTECS ES5775000
Packaging Group III
Hazard Class 3.2

 Synthetic Route

 Synonyms

Allyl butanoate
allyl butyrate
2-Propenyl butanoate
FEMA No. 2021
butanoic acid 2-propenyl ester
Buttersaeure-allylester
allyl n-butyrate
Allylbutyrat
MFCD00009395
EINECS 218-129-8
Vinyl carbinyl butyrate
2-Propen-1-yl butanoate
butyric acid allyl ester
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