Dimethyl but-2-ynedioate

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Names

[ CAS No. ]:
762-42-5

[ Name ]:
Dimethyl but-2-ynedioate

[Synonym ]:
Acetylenedicarboxylic acid, dimethyl ester (8CI)
Dimethylbut-2-indioat
2-Butynedioic acid, dimethyl ester
EINECS 212-098-4
Dimethyl 2-butynedioate
dimethyl but-2-ynedioate
acetylenedicarboxylate
MFCD00008456

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
204.3±0.0 °C at 760 mmHg

[ Melting Point ]:
-18 °C

[ Molecular Formula ]:
C₆H₆O₄

[ Molecular Weight ]:
142.109

[ Flash Point ]:
86.1±0.0 °C

[ Exact Mass ]:
142.026611

[ PSA ]:
52.60000

[ LogP ]:
1.50

[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.446

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ES0175000

CHEMICAL NAME :: 2-Butynedioic acid, dimethyl ester

CAS REGISTRY NUMBER :: 762-42-5

BEILSTEIN REFERENCE NO. :: 0607063

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C6-H6-O4

MOLECULAR WEIGHT :: 142.12

WISWESSER LINE NOTATION :: 1OV1UU1VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,13,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 550 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - coma

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: 28(6),55,1984

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R22;R34

[ Safety Phrases ]:
S23-S26-S27-S36/37/39-S45

[ RIDADR ]:
UN 3265 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
ES0175000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2917190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

trans-2,3-dibromobutenedioic acid dimethyl ester
dimethyl 2-oxo-3-triphenylphosphoranylidenebutanedioate
methyl 7-oxo-2-phenyl-7H-[1,2,4]triazolo[3,2-b][1,3]thiazine-5-carboxylate
Methanol
Methyl 5-hydroxypyrazole-3-carboxylate
2-Butynedioic acid
(2Z)-2,3-Dibromo-2-butenedioic acid

DownStream

4H-Quinolizine-1,2,3,4-tetracarboxylicacid, 1,2,3,4-tetramethyl ester
6-(Trimethylsilyl)-9aH-chinolizin-1,2,3,4-tetracarbonsaeure-tetramethylester
tetramethyl 9aH-quinolizine-1,2,3,4-tetracarboxylate
3-Methoxalyl-4-oxo-4H-chinolizin-1,2-dicarbonsaeure-dimethylester
dimethyl 1-benzothiophene-6,7-dicarboxylate
Acetic acid, (6-methyl-3-oxopiperazinylidene)-, methyl ester (9CI)
NSC-65381
dimethyl indole-2,3-dicarboxylate
5-Methyl-2-phenylindolizine
tetramethyl 5,9a-dihydro-9a-methyl-3-phenylazocino[2.1.8-cd]pyrrolizine-1,2,5,6-tetracarboxylate

Customs

[ HS Code ]: 2917190090

[ Summary ]:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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dipentyl but-2-ynedioate
dicyclohexyl but-2-ynedioate
diphenyl but-2-ynedioate
2-Butynedioic acid, bis(1-Methylethyl) ester
bis(trimethylsilyl) but-2-ynedioate
(1,1-dimethyl-but-2-ynyl)-methyl-amine
2-{3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(methylsulfanyl)butanamido]cyclopentyl}acetic acid
1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(methylsulfanyl)butanoyl]azetidine-3-carboxylic acid
(3aRS,6aRS)-2-[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-octahydrocyclopenta[c]pyrrole-3a-carboxylic acid
3-{[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}cyclohexane-1-carboxylic acid
2-({[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]formamido}methyl)cyclohexane-1-carboxylic acid
2-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopentanecarbonyl}-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-({spiro[2.5]octan-6-yl}carbamoyl)butanoic acid
rac-2-{1-[(2R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxolane-2-carbonyl]-4-methylpyrrolidin-3-yl}acetic acid
2-{1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazole-4-carbonyl]azetidin-3-yl}propanoic acid
rac-2-[(3R,4R)-1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-4-methylpyrrolidin-3-yl]acetic acid

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