3,4-ジカルボキシヘキサン二酸

1,2,3,4-Butanetetracarboxylic acid

HCID 15560CAS 1703-58-8

基本情報

標準SMILES
O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIKey
GGAUUQHSCNMCAU-UHFFFAOYSA-N
分子式
C8H10O8
平均分子量
234.16 g/mol
単同位体質量
234.03756728

概要

Leaflets (from water) or white powder. (NTP, 1992)

名称と識別子

優先名称
1,2,3,4-Butanetetracarboxylic acid
IUPAC
butane-1,2,3,4-tetracarboxylic acid
現地名
3,4-ジカルボキシヘキサン二酸
英語名
1,2,3,4-Butanetetracarboxylic acid
分子式
C8H10O8
分子量
234.16

名称と別名

1,2,3,4-BUTANETETRACARBOXYLIC ACID1703-58-8Butanetetracarboxylic acidDTXSID6024670DTXCID704670RefChem:410478butane-1,2,3,4-tetracarboxylic acidC8H10O8MFCD00002722SCHEMBL22151MLS004491893CHEMBL1574612
名称をさらに表示
1,2,3,4-ブタンテトラカルボン酸2,3-ビス(カルボキシメチル)こはく酸ブタン-1,2,3,4-テトラカルボン酸3,4-ジカルボキシヘキサン二酸1,2,3,4‐ブタンテトラカルボン酸BTCA1,2,3,4-ButaneTetraCarboxylic1,2,3,4-ButanetetracButanetetraacetic acidbutanetetracarboxylicacid1,2,3,4-TETRACARBOXYBUTANE1,2,3,4-ButanetetracarboxyL2,3-Bis(carboxymethyl)succinic acid
NSC-21371CAS-1703-58-8Ethyl-3-chlorophenylacetateMeso-1,2,3,4-butanetetracarboxylic acidGGAUUQHSCNMCAU-UHFFFSCHEMBL2864190GGAUUQHSCNMCAU-UHFFFAOYSA-1,3,4-Butanetetracarboxylic acid

データベース識別子

CAS
1703-58-8
PubChem CID
15560
DTXSID
DTXSID6024670
ChEMBL
CHEMBL1574612
EC Number
216-938-0
Nikkaji
J42.089A

物性

構造計算による物性

XLogP
-1.7
極性表面積
149 Ų
水素結合供与体数
4
水素結合受容体数
8
回転可能結合数
7
重原子数
16

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids
Solubilitygreater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
Melting Point385 °F (NTP, 1992)
Physical Description · 2 件

Leaflets (from water) or white powder. (NTP, 1992)

Solid; [CAMEO] Off-white powder; [Alfa Aesar MSDS]

Collision Cross Section137.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6024670]

物理化学的性質

融点
193 · 193-197 °C
沸点
296.47 °C · 296.47°C (rough estimate)
比重(密度)
1.504 · 1.5040 (rough estimate)
蒸気圧
0 Pa · 0Pa at 25℃
屈折率
1.58 · 1.5800 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
化学的性質 · 1 件

化学的特性White leaf-shaped or needle-shaped crystals. melting point 236-237℃ for dextrorotatory-levorotatory type, 189℃ for endocyclic type. Solubility of the product in water (g/100g water): 30℃, 18.5; 50℃, 45.5; 70℃, 81.8. Soluble in ethanol. There is almost no hygroscopicity, and the purity does not decrease when left for more than two years.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.5% (1 of 199) of reports.

Warning

H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 199 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,2,3,4-Butanetetracarboxylic acid

Status: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19698

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and irritating fumes. (NTP, 1992)
Hazards Summary · 1 件

No developmental toxicity or teratogenicity observed in rats at doses maternally toxic (1 mortality, reduced body weight, and reduced weight gain at the highest dose of 1,000 mg/kg/day); [NTP] A severe eye irritant; [RTECS] An irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS]

Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 件

1,2,3,4-BUTANETETRACARBOXYLIC ACID is a carboxylic acid. Carboxylic acids 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

安全と保護具

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

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 · 1 件

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) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is stored, weighed and diluted, wear an 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)

安全データ

wgk
3
tsca
TSCA listed
rtecs
EK6100000
ridadr
3261
毒性
LD50 orally in Rabbit: 1720 mg/kg
hs_code
29171990

化学と産業

用途と製造

Uses · 2 件

Widely used in industry with possible new applications in finishing permanent press fabrics; [NTP]

Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

General Manufacturing Information1,2,3,4-Butanetetracarboxylic acid: ACTIVE
応用分野 · 2 件

使用1,2,3,4-Butanetetracarboxylic acid is used as a cross linking agent to prepare cotton cellulose in order to improve anti-prilling and flame retardant properties. It is used as a spacer in the cross-linking of titania nanoparticles to cotton. Further, it is used as a nonformaldehyde durable press finishing agent.

一般的な説明Leaflets (from water) or white powder.

調製方法 · 1 件

製造方法1,2,3,4-butanetetracarboxylic acid is obtained by oxidation of tetrahydrophthalic anhydride.1,2,3,4-butanetetracarboxylic acid is prepared by oxidative cleavage of tetraphthalic acid or anhydride by oxidation with ozone-containing gas, followed by oxygen-containing gas, with the mixture then being heated with a peroxide, e.g. H2 O2, at 100° C. to produce the butanetetracarboxylic acid.Process for preparing 1,2,3,4-butanetetracarboxylic acid

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

関連反応

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