CAS 2835-39-4|allyl isovalerate

Introduction：Basic information about CAS 2835-39-4|allyl isovalerate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

Common Name	allyl isovalerate
CAS Number	2835-39-4	Molecular Weight	142.19600
Density	0.88 g/mL at 25ºC(lit.)	Boiling Point	155ºC(lit.)
Molecular Formula	C₈H₁₄O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	139 °F
Symbol	GHS02, GHS06	Signal Word	Danger

Names

Name	prop-2-enyl 3-methylbutanoate
Synonym	More Synonyms

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.)
InChIKey	HOMAGVUCNZNWBC-UHFFFAOYSA-N
SMILES	C=CCOC(=O)CC(C)C

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

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%

Articles3

Allyl isovalerate.

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...

Synonyms

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

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