Grundinformationen
- Standard-SMILES
COC(=O)CCCC(=O)OC- InChIKey
XTDYIOOONNVFMA-UHFFFAOYSA-N- Summenformel
- C7H12O4
- Durchschnittliche Molmasse
- 160,17 g/mol
- Monoisotopische Masse
- 160,07355886
Namen und Bezeichner
- Bevorzugter Name
- Dimethyl Glutarate
- IUPAC
- dimethyl pentanedioate
- Lokaler Name
- Dimethylglutarat
- Englischer Name
- Dimethyl Glutarate
- Summenformel
- C7H12O4
- Molmasse
- 160.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1119-40-0- PubChem CID
- 14242
- DTXSID
DTXSID3025122- ChEMBL
CHEMBL1609626- UNII
- 1I9VFA346P
- EC Number
- 214-277-2
- Nikkaji
- J560F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 125
Experimentelle und physikochemische Eigenschaften
Density
1.087 (USCG, 1999) - Denser than water; will sink
1.0876 @ 20 °C/4 °C
1.087
Flash Point
218 °F (USCG, 1999)
103 °C
218 °F
Boiling Point
199.4 to 203 °F at 13 mmHg (USCG, 1999)
213.5-214 °C @ 752 MM HG; 93.5-94.5 °C @ 13 MM HG
199.4-203 °F
Physical Description
Dimethyl glutarate is a colorless liquid. (USCG, 1999)
Liquid; CBI
Liquid with an agreeable odor; [HSDB]
Colorless liquid
Ionization Efficiency
Positive
2.58
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Kovats Retention Index
1105;1099;1100;1102;1104;1106;1107;1108;1109;1104.5;1103;1103;1105;1102;1109.4
1139.8;1140;1135;1134;1134;1135;1139;1135.9;1131.4;189.9
1699;1687;1667;1690;1687
Physikochemische Eigenschaften
- Schmelzpunkt
- 13 °C · −13 °C(lit.)
- Siedepunkt
- 96 · 96-103 °C15 mm Hg(lit.)
- Dichte
- 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.2 mm · 0.2 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.424(lit.)
- Flammpunkt
- 218 °F · 218 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 4.3 g/l · 4.3g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Geruch (Odor)
- estery floral
- Explosionsgrenze
- 0.9 · 0.9-7.9%(V)
- Wasserlöslichkeit
- 53 g/L · 53 g/L
- Merck
- 14 · 14,4473
- BRN
- 1771444 · 1771444
- Henry's Law Constant
- 1.5 · 1.5×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stabilität
- Stable. Combustible. Incompatible with acids, bases, reducing agents, oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING - EMOLLIENTSOLVENTANTISTATIC
- InChI
- 1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
- InChIKey
- XTDYIOOONNVFMA-UHFFFAOYSA-N
- SMILES
- COC(=O)CCCC(=O)OC
- LogP
- 0.49 at · 0.49 at 20℃
- CAS Datenbank
- 1119 · 1119-40-0(CAS DataBase Reference)
- NIST chemische Informationen
- Dimethyl pentanedioate(1119-40-0)
- EPA chemische Informationen
- Dimethyl glutarate (1119-40-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 95.5% (998 of 1045) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 998 of 1045 companies (only 4.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1045 reports by companies from 11 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 998 of 1045 reports by companies.;There are 8 notifications provided by 47 of 1045 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Warning
H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects];H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
Gefahrenhinweise
Regulatory Information
Chemical: Pentanedioic acid, dimethyl ester
Pentanedioic acid, 1,5-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanedioic acid, 1,5-dimethyl ester 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: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5377
Dimethyl glutarate: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
DIMETHYL GLUTARATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Hazard Classes and Categories
Not Classified
Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects);Specific target organ toxicity - Repeated exposure - Category 2 (respiratory organs);Hazardous to the aquatic environment (Acute) - Category 3
Sicherheit und Schutzausrüstung
First Aid
INHALATION: Call for medical aid. Remove the victim to fresh air. If not breathing give artificial respiration. If breathing is difficult give oxygen.;EYES: Flush immediately with copious amounts of water for at least 15 minutes.;SKIN: Wash immediately with soap and copious amounts of water for at least 15 minutes. (USCG, 1999)
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: Pentanedioic acid, dimethyl ester
Pentanedioic acid, 1,5-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanedioic acid, 1,5-dimethyl ester 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: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5377
Dimethyl glutarate: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29171990
- risk_code
- 36/37/38
- Toxizität
- LD50 orally in Rabbit: 8191 mg/kg LD50 dermal Rabbit > 2250 mg/kg
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Speicherklasse
- 10 - Combustible liquids
- Giftige Stoffe Daten
- 1119-40-0(Hazardous Substances Data)
- Selbstentzündungstemperatur
- 365 °C
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Dimethyl Glutarate
Used to make polyester and polyamide resins; [HSDB]
CHEM INT FOR EPICHLOROHYDRIN-POLYAMIDE RESINS FOR PAPER
CHEM INT FOR POLYESTER RESINS (COATINGS, PLASTICIZERS)
CHEM INT FOR POLYAMIDE RESINS
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 25,000,000 - <40,000,000 lb;2022: 25,000,000 - <40,000,000 lb;2021: 40,000,000 - <55,000,000 lb;2020: 25,000,000 - <40,000,000 lb
(1977) AT LEAST 9.08X10+8 GRAMS
(1981) No Data
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
Cosmetics -> Solvent; Emollient; Antistatic
General Manufacturing Information
Paper Manufacturing;Plastics Product Manufacturing;Soap, Cleaning Compound, and Toilet Preparation Manufacturing;Wood Product Manufacturing;Petroleum Lubricating Oil and Grease Manufacturing;Transportation Equipment Manufacturing;Printing Ink Manufacturing;Services;Asphalt Paving, Roofing, and Coating Materials Manufacturing;Wholesale and Retail Trade;Paint and Coating Manufacturing;Synthetic Dye and Pigment Manufacturing;Fabricated Metal Product Manufacturing;All Other Chemical Product and Preparation Manufacturing;Construction;Furniture and Related Product Manufacturing;Not Known or Reasonably Ascertainable;Printing and Related Support Activities;Adhesive Manufacturing
Pentanedioic acid, 1,5-dimethyl ester: ACTIVE
Anwendungen
VerwendenDimethyl glutarate is applied as paint and graffiti removers, nail polish removers, hand cleaners, adhesives, sealants and caulks, automotive cleaning products, bathroom and tile cleaners, general purpose cleaners, spot removers, floor maintenance products.
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