Glutaric Acid

HCID 743CAS 110-94-1

基本情報

標準SMILES
O=C(O)CCCC(=O)O
InChIKey
JFCQEDHGNNZCLN-UHFFFAOYSA-N
分子式
C5H8O4
平均分子量
132.11 g/mol
単同位体質量
132.04225874

概要

Glutaric acid appears as colorless crystals or white solid. (NTP, 1992)

名称と識別子

優先名称
Glutaric Acid
IUPAC
pentanedioic acid

名称と別名

GLUTARIC ACIDPentanedioic acid110-94-11,5-Pentanedioic acidglutarate1,3-Propanedicarboxylic acidPentandioic acidn-Pyrotartaric acidDTXSID2021654CHEBI:17859H849F7N00BNSC-9238
名称をさらに表示
DTXCID401654hydron;pentanedioateRefChem:5863CHEBI:24329203-817-2Pentanedioatepropane-1,3-dicarboxylic acidMFCD00004410

データベース識別子

CAS
110-94-1
PubChem CID
743
DTXSID
DTXSID2021654
ChEMBL
CHEMBL1162495
ChEBI
CHEBI:17859
UNII
H849F7N00B
EC Number
203-817-2
Nikkaji
J40.077G

物性

構造計算による物性

XLogP
-0.3
極性表面積
74.6 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
4
重原子数
9

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsCosmetic ingredients (Glutaric Acid) -> CIR (Cosmetic Ingredient Review)
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP · 3 件

-0.29

-0.47/-0.08 (calculated)

-0.29

Density · 3 件

1.424 at 77 °F (NTP, 1992) - Denser than water; will sink

1.429 @ 15 °C/4 °C

1.4 g/cm³

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 3.7% (13 of 350) of reports.

Danger

H314 (49.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 350 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: Pentanedioic acid

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Pentanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanedioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19290

Glutaric acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Pentanedioic acid: Human health tier I assessment
Fire Hazards · 2 件

Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

Combustible.

Health HazardsSYMPTOMS: This compound may cause irritation to the skin and eyes.
Hazards SummaryA skin, eye, and respiratory tract irritant; [ICSC] May cause skin and eye irritation; [CAMEO] Causes diarrhea and weight loss in high-dose animal feeding studies; [RTECS] An eye irritant; [MSDSonline]
Reactive GroupAcids, Carboxylic

安全と保護具

Fire Fighting · 2 件

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

Use water spray, powder.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

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.

Safe StorageSeparated from bases.
Exposure Control and Personal Protection2.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]
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.

毒性情報

InteractionsLITHIUM CHLORIDE (1.15 G) OR LITHIUM CARBAMATE (1.5-4 G) INCREASED THE RENAL EXCRETION OF GLUTARATE IN MANIC DEPRESSIVE PATIENTS. THE EFFECTS OF LITHIUM ARE PROBABLY CAUSED BY DECREASED RENAL TUBULAR RESORPTION.
Health EffectsChronically high levels of glutaric acid are associated with at least 3 inborn errors of metabolism including: Glutaric Aciduria Type I and Glutaric Aciduria Type III.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.
Toxicity Summary · 2 件

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Accumulation of glutaric acid in the body has been shown to be toxic. The accumulation of glutaric acid ranging from slightly or intermittently elevated urinary glutaric acid to gross organic aciduria occurs in glutaric aciduria. Glutaric aciduria type 1 is an autosomal-recessive disorder resulting from a deficiency of mitochondrial glutaryl-CoA dehydrogenase which is involved in the metabolism of lysine, hydroxylysine, and tryptophan.

Signs and Symptoms · 4 件

Cough. Sore throat.

Redness. Pain.

Pain. Redness.

Abdominal pain.

Natural Pollution SourcesOCCURS IN GREEN SUGAR BEETS; IS FOUND IN WATER EXTRACTS OF CRUDE WOOL.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

RAT LIVER MITOCHONDRIA METABOLIZED GLUTARATE VERY SLOWLY COMPARED WITH GLUTARYL-COENZYME A (COA). GLUTARYL-COA DEHYDROGENASE, WHICH CATALYZES THE STOICHIOMETRIC CONVERSION OF GLUTARYL-COA TO 1 MOLE EACH OF CARBON DIOXIDE AND CROTONYL-COA OR ITS INTERMEDIATE METABOLITE, WAS PURIFIED APPROX 44- AND 100-FOLD FROM BOVINE LIVER AND KIDNEY MITOCHONDRIA, RESPECTIVELY. THE KM FOR GLUTARYL-COA WAS 3.3 MUM.

Tissue LocationsPlacenta
Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

CIR ingredient: Glutaric Acid

Present in green sugar beets and water extracts of crude wool; [Merck Index] Used to make polymers, for biochemical research, and to treat animal diabetes; [HSDB]

IN ORGANIC SYNTHESIS

CHEM INT FOR POLYMERS, EG, POLYAMIDES & POLYESTERS

CHEM INT FOR ITS ESTERS & ANHYDRIDE

MEDICATION

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 3 件

2023: 25,000,000 - <40,000,000 lb

(1977) AT LEAST 4.54X10+9 GRAMS

(1981) No Data

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate

関連反応

80 件

関連ノート

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