Methoxymethylbutanol (HCID 62118)

Namen und Bezeichner

Bevorzugter Name: Methoxymethylbutanol
IUPAC: 3-methoxy-3-methylbutan-1-ol
Lokaler Name: 3-Methoxy-3-methylbutan-1-ol
Englischer Name: 3-Methyl-3-methoxybutanol
Summenformel: C6H14O2
Molmasse: 118.17

Namen und Synonyme

3-Methoxy-3-methylbutan-1-ol56539-66-33-Methoxy-3-methyl-1-butanol3-Methyl-3-methoxybutanol3-Methoxy-3-methylbutanolMETHOXYMETHYLBUTANOL1-Butanol, 3-methoxy-3-methyl-Solfit S 1103-methyl-3-methoxy-1-butanol3-Methxoy-3-methylbutan-1-olDTXSID8044389EINECS 260-252-4

Weitere Namen anzeigen

MMB3-methoxy-3-methyl-1-butano3-Methoxyisobutanol3-Methyl-3-methoxybuMethyl methoxy butanol

EC 260-252-4366754K2K13-methyl-3-(methyloxy)butan-1-ol3-Methyl-3-methoxy-1-hydroxybutaneDTXCID6024389MFKRHJVUCZRDTF-UHFFFAOYSA-RefChem:811820METHOXYMETHYLBUTANOL [INCI]

Datenbank-Bezeichner

CAS: 56539-66-3
PubChem CID: 62118
DTXSID: DTXSID8044389
ChEMBL: CHEMBL3188023
UNII: 366754K2K1
EC Number: 260-252-4
Nikkaji: J38.165I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 59

Experimentelle und physikochemische Eigenschaften

Physical DescriptionCBI; Liquid

Kovats Retention Index1434

Physikochemische Eigenschaften

Schmelzpunkt: -50 °C · -50 °C
Siedepunkt: 173 · 173-175 °C(lit.)
Dichte: 0.926 g/mL · 0.926 g/mL at 20 °C(lit.)
Dampfdruck: 47 Pa · 47Pa at 20℃
Brechungsindex: 20 · n20/D 1.428(lit.)
Flammpunkt: 160 °F · 160 °F
storage temp.: Store at room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 15.19 · 15.19±0.10(Predicted)
Farbe: Clear colorless
Geruch (Odor): Practically odourless
Wasserlöslichkeit: Soluble in water.
BRN: 1732882 · 1732882
Kosmetik-Inhaltsstoffe Funktionen: SOLVENT
InChI: InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
InChIKey: MFKRHJVUCZRDTF-UHFFFAOYSA-N
SMILES: C(O)CC(OC)(C)C
LogP: 0.18 at · 0.18 at 25℃
CAS Datenbank: 56539 · 56539-66-3(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Butanol, 3-methoxy-3-methyl- (56539-66-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2016) of reports.

Warning

H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 2016 reports by companies from 7 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2016 reports by companies.；There are 6 notifications provided by 2014 of 2016 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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Butanol, 3-methoxy-3-methyl-

1-Butanol, 3-methoxy-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-3-methyl- 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: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10042

1-Butanol, 3-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Butanol, 3-methoxy-3-methyl-: Human health tier I assessment；IMAP assessments - 1-Butanol, 3-methoxy-3-methyl-: Environment tier I assessment

EPA Safer ChemicalChemical: 3-Methyl-3-methoxybutanol； Green half-circle - The chemical is expected to be of low concern based on experimental and modeled data. Additional data would strengthen EPA's confidence in the chemical's safer status.

Hazard Classes and Categories · 2 Einträge

Eye Irrit. 2A (99.2%)

Flammable liquids - Category 4；Serious eye damage/eye irritation - Category 2A

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: 1-Butanol, 3-methoxy-3-methyl-

1-Butanol, 3-methoxy-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-3-methyl- 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: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10042

1-Butanol, 3-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29094990
risk_code: 36
hazard_code: Xi
safety_code: 23-24/25-36/37/39-26
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 700,000 - <850,000 lb

Consumer UsesFragrance；Not Known or Reasonably Ascertainable；Solvent

Industry UsesAbrasives；Fragrance；Cleaning agent；Not Known or Reasonably Ascertainable

Household ProductsInformation on 4 consumer products that contain Methoxymethylbutanol in the following categories is provided:；• Inside the Home

Use Classification · 4 Einträge

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Fragrance Ingredients

Cosmetics -> Solvent

General Manufacturing Information · 2 Einträge

Electrical Equipment, Appliance, and Component Manufacturing；Miscellaneous Manufacturing；Not Known or Reasonably Ascertainable；All Other Chemical Product and Preparation Manufacturing

1-Butanol, 3-methoxy-3-methyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3-Methoxy-3-methyl-1-butanol is a solvent that compares favorably with its isomer ethylene glycol monobutyl ether. It is employed as raw material for the production of industrial detergents. It is also used as solvent for paints, inks, and fragrances.