allyl isovalerate

Names

[ Name ]:
allyl isovalerate

[Synonym ]:
Allyl isovalerianate
Allyl isopentanoate
EINECS 220-609-7
allyl 3-methyl-2-butanoate
Allyl isovalerate
Allyl 3-methylbutanoate
Allyl 3-methylbutyrate
Isovaleriansaeure-allylester
MFCD00048350
3-methyl-butanoic acid,2-propenyl ester
Isovaleric acid,allyl ester
2-Propenyl isovalerate
Butanoic acid,3-methyl-,2-propenyl ester

Chemical & Physical Properties

[ Density]:
0.88 g/mL at 25ºC(lit.)

[ Boiling Point ]:
155ºC(lit.)

[ Molecular Formula ]:
C₈H₁₄O₂

[ Molecular Weight ]:
142.19600

[ Flash Point ]:
139 °F

[ Exact Mass ]:
142.09900

[ PSA ]:
26.30000

[ LogP ]:
1.76170

[ Vapour Pressure ]:
1.95mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.416(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NY1412000

CHEMICAL NAME :: Isovaleric acid, allyl ester

CAS REGISTRY NUMBER :: 2835-39-4

BEILSTEIN REFERENCE NO. :: 1750520

LAST UPDATED :: 199710

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C8-H14-O2

MOLECULAR WEIGHT :: 142.22

WISWESSER LINE NOTATION :: 1Y1&1VO2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 230 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 :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 560 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 31930 mg/kg/2Y-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Blood - lymphoma, including Hodgkin's disease

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 31930 mg/kg/2Y-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15965 mg/kg/2Y-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - tumors Blood - leukemia

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 500 mg/L

REFERENCE :: SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 236,933,1987 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 36,69,1985 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 36,69,1985 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

Safety Information

[ Symbol ]:

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 ]:
21/22-36/37/38

[ Safety Phrases ]:
S26;S36

[ RIDADR ]:
UN 1992 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
NY1412000

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail 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%

Articles

Allyl isovalerate.

IARC Monogr. Eval. Carcinog. Risk Chem. Hum. 36 , 69-74, (1985)