allyl isovalerate
Names
[ CAS No. ]:
2835-39-4
[ 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
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
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
IARC Monogr. Eval. Carcinog. Risk Chem. Hum. 36 , 69-74, (1985)
Allyl isovalerate.
IARC Monogr. Eval. Carcinog. Risks Hum. 71 Pt 3 , 1241-4, (1999)
The effects of allyl isovalerate on the hematopoietic and immunologic systems in rodents.
Fundam. Appl. Toxicol. 10(4) , 655-63, (1988)
Female B6C3F1 mice plus male and female Fischer 344/N rats were gavaged with allyl isovalerate (AIV) in corn oil at 0, 31, 62, or 125 (mice) and 0, 31, 62, 125, or 250 (rats) mg/kg body weight for fiv...