Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Butanoic acid,3-methyl-, 2-propen-1-yl ester
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang
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2835-39-4

2835-39-4 structure

Name: allyl isovalerate
Chemical Name: prop-2-enyl 3-methylbutanoate
CAS Number: 2835-39-4
Molecular Formula: C₈H₁₄O₂
Molecular Weight: 142.19600
Catalog: Flavors and spices Synthetic spice Carboxylic acid and ester perfume Aliphatic carboxylate
Create Date: 2018-06-26 18:03:04
Modify Date: 2025-08-20 12:12:22

Name	prop-2-enyl 3-methylbutanoate
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

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.)

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

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

503-74-2

107-18-6

~91%

2835-39-4

Literature: Kraft, Philip; Denizot, Natacha European Journal of Organic Chemistry, 2013 , # 1 p. 49 - 58

Precursor 2
503-74-2 107-18-6
DownStream 0

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%

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