3,3-Dimethylacrylic acid

Modify Date: 2025-08-22 01:37:07

3,3-Dimethylacrylic acid Structure
3,3-Dimethylacrylic acid structure
Common Name 3,3-Dimethylacrylic acid
CAS Number 541-47-9 Molecular Weight 100.116
Density 1.0±0.1 g/cm3 Boiling Point 194.5±0.0 °C at 760 mmHg
Molecular Formula C5H8O2 Melting Point 65-70 °C(lit.)
MSDS Chinese USA Flash Point 95.9±9.6 °C
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Names

Name 3-methylbut-2-enoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 194.5±0.0 °C at 760 mmHg
Melting Point 65-70 °C(lit.)
Molecular Formula C5H8O2
Molecular Weight 100.116
Flash Point 95.9±9.6 °C
Exact Mass 100.052429
PSA 37.30000
LogP 1.35
Vapour Pressure 0.2±0.7 mmHg at 25°C
Index of Refraction 1.451
Storage condition -20°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GQ5425000
CHEMICAL NAME :
Crotonic acid, 3-methyl-
CAS REGISTRY NUMBER :
541-47-9
BEILSTEIN REFERENCE NO. :
1720305
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C5-H8-O2
MOLECULAR WEIGHT :
100.13
WISWESSER LINE NOTATION :
QV1UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/23/1967
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,309,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/23/1967
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,309,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2580 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(4),52,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(4),52,1985 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993

 Safety Information

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H315-H318-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R37/38;R41
Safety Phrases S26-S36/37/39
RIDADR 3261
WGK Germany 1
RTECS GQ5425000
Packaging Group III
Hazard Class 8
HS Code 2916190090

 Synthetic Route

 Customs

HS Code 2916190090
Summary 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

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 Synonyms

3-Methyl-2-butenoic acid
EINECS 208-782-7
β-Methylcrotonic acid
QV1UY1&1
3-Methylcrotonate
Senecic acid
2-Butenoic acid, 3-methyl-
But-2-enoic acid, 3-methyl-
Crotonic acid, 3-methyl-
Senecioic acid
3,3-Dimethylacrylic acid
3-Methylcrotonic acid
3-Methylbut-2-enoic acid
MFCD00004366
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