Methylsuccinic acid

HCID 10349CAS 498-21-5

기본 정보

표준 SMILES
CC(CC(=O)O)C(=O)O
InChIKey
WXUAQHNMJWJLTG-UHFFFAOYSA-N
분자식
C5H8O4
평균 분자량
132.11 g/mol
단동위원소 질량
132.04225874

개요

Methyl succinic acid appears as white or yellowish crystals or beige powder. (NTP, 1992)

이름 및 식별자

우선 이름
Methylsuccinic acid
IUPAC
2-methylbutanedioic acid

이름 및 동의어

2-Methylsuccinic acidMETHYLSUCCINIC ACID498-21-52-Methylbutanedioic acidPyrotartaric acidButanedioic acid, methyl-1,2-Propanedicarboxylic acidSuccinic acid, methyl-2-methyl-butanedioic acidMethylbutanedioic acidButanedioic acid, 2-methyl-H1547KG7UZ
이름 더 보기
CHEBI:91315NSC-5276Methyl succinic acidJ6.105KDL-METHYLSUCCINIC ACIDDL-METHYLBUTANEDIOIC ACIDDTXSID9025663R,S-2-METHYLBUTANEDIOIC ACID

데이터베이스 식별자

CAS
498-21-5
PubChem CID
10349
DTXSID
DTXSID9025663
ChEBI
CHEBI:91315
UNII
H1547KG7UZ
EC Number
207-857-1
Nikkaji
J6.105K

물성

구조 계산 물성

XLogP
-0.2
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Density1.4105 (NTP, 1992) - Denser than water; will sink
Solubilitygreater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point232 to 234 °F (NTP, 1992)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationButanedioic acid, methyl-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this compound are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion or skin absorption. When heated to decomposition it emits toxic fumes of carbon monoxide and carbon dioxide. (NTP, 1992)
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Succinic acid.
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1건

Carboxylic acids, such as METHYL SUCCINIC ACID, donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

화학 및 산업

용도 및 제조

UsesUsed in organic synthesis; [NTP]
General Manufacturing InformationButanedioic acid, 2-methyl-: ACTIVE

관련 반응

6건

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