Basic information
- Name:
Dimethyl fumarate
- CAS No.:
624-49-7
- Molecular Structure:
- Formula:
- C6H8O4
- Molecular Weight:
- 144.14
- Synonyms:
- 2-Butenedioic acid (E)-, dimethyl ester;Fumaric acid, dimethyl ester (6CI,8CI);(2E)-2-Butenedioic acid dimethyl ester;(E)-But-2-enedioic acid dimethyl ester;AZL-O 211089;Dimethyl (E)-2-butenedioate;Dimethyl(E)-butenedioate;2-Butenedioic acid(2E)-, 1,4-dimethyl ester;Dimethyl trans-ethylenedicarboxylate;NSC 167432;trans-1,2-Ethylenedicarboxylic aciddimethyl ester;trans-Butenedioic acid dimethyl ester;
- EINECS:
- 210-849-0
- Density:
- 1.124 g/cm3
- Melting Point:
- 102-106 °C(lit.)
- Boiling Point:
- 193 °C at 760 mmHg
- Flash Point:
- 91.1 °C
- Appearance:
- fine white crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 21-38-41-43-36/37/38
- Safety Description:
- 26-36/37/39 Details
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Chemistry
Molecule structure of Dimethyl fumarate (CAS NO.624-49-7):
IUPAC Name: Dimethyl (E)-but-2-enedioate
Molecular Weight: 144.12532 g/mol
Molecular Formula: C6H8O4
Density: 1.124 g/cm3
Melting Point: 102-106 °C(lit.)
Boiling Point: 193 °C at 760 mmHg
Flash Point: 91.1 °C
Index of Refraction: 1.435
Molar Refractivity: 33.45 cm3
Molar Volume: 128.1 cm3
Surface Tension: 33.1 dyne/cm
Enthalpy of Vaporization: 42.92 kJ/mol
Vapour Pressure: 0.475 mmHg at 25 °C
Storage Temp. store at RT.
Stability: stable. incompatible with acids, bases, oxidizing agents, reducing agents.
XLogP3: 0.7
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 144.042259
MonoIsotopic Mass: 144.042259
Topological Polar Surface Area: 52.6
Heavy Atom Count: 10
Canonical SMILES: COC(=O)C=CC(=O)OC
Isomeric SMILES: COC(=O)/C=C/C(=O)OC
InChI: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey: LDCRTTXIJACKKU-ONEGZZNKSA-N
EINECS: 210-849-0
Product Categories: Acids & Esters; C6 to C7; Carbonyl Compounds; Esters
Uses
Dimethyl fumarate (CAS NO.624-49-7) is widely used in food, feed, tobacco, leather or other anticorrosion ,mouldproof and preservation. Dimethyl fumarate is used to treat psoriasis. It is a lipophilic, highly mobile molecule in human tissue. Another use for dimethyl fumarate is mold inhibition, mostly for leather products.
Toxicity Data With Reference
| 1. | skn-rbt 20 mg/24H MOD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,373. | ||
| 2. | eye-rbt 250 µg/24H SEV | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,373. | ||
| 3. | orl-rat LD50:2240 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. | ||
| 4. | skn-rbt LD50:1250 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 21-38-41-43-36/37/38
R21:Harmful in contact with skin.
R38:Irritating to skin.
R41:Risk of serious damage to the eyes.
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 1
RTECS: EM6125000
HS Code: 29171990
Moderately toxic by ingestion and skin contact. A skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Specification
Dimethyl fumarate (CAS NO.624-49-7) is also named as 2-Butenedioic acid, dimethyl ester, (E)- ; 4-02-00-02205 (Beilstein Handbook Reference) ; AI3-07872 ; Allomaleic acid dimethyl ester ; BG 00012 ; BG 12 compound ; BG-00012 ; BG00012 ; BRN 0774590 ; Boletic acid dimethyl ester ; Dimethyl trans-ethylenedicarboxylate ; Dimethylester kyseliny fumarove ; Dimethylester kyseliny fumarove [Czech] ; Dimethylfumarate ; Ethylene, 1,2-bis(methoxycarbonyl)-, trans- ; FAG 201 ; FAG201 ; Fumaderm ; Fumaric acid, dimethyl ester ; Methyl fumarate ; NSC 167432 ; NSC 25942 ; TL 353 ; UNII-FO2303MNI2 ; trans-1,2-Ethylenedicarboxylic acid dimethyl ester ; trans-Butenedioic acid dimethyl ester . Dimethyl fumarate (CAS NO.624-49-7) is fine white crystalline powder.