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Propylidintrimethanol

Trimethylolpropane

HCID 6510
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GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
77-99-6
Standard-SMILES
CCC(CO)(CO)CO
InChIKey
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
Summenformel
C6H14O3
Durchschnittliche Molmasse
134,17 g/mol
Monoisotopische Masse
134,0942943

Überblick

Trimethylolpropane is a primary alcohol.

Namen und Bezeichner

Bevorzugter Name
Trimethylolpropane
IUPAC
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Lokaler Name
Propylidintrimethanol
Englischer Name
Trimethylolpropane
Summenformel
C6H14O3
Molmasse
134.17

Namen und Synonyme

Trimethylolpropane77-99-62-Ethyl-2-(hydroxymethyl)-1,3-propanediol1,1,1-TRIS(HYDROXYMETHYL)PROPANEEthriolHexaglycerineEtriolEttriolTMP (alcohol)Propylidynetrimethanol1,1,1-TrimethylolpropaneEthyltrimethylolmethane
Weitere Namen anzeigen
Trimethylol propaneHEXAGLYCEROLTrimethylopropaneTrimethylolpropanTrimethylol
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-Tri(hydroxymethyl)propaneTris(hydroxymethyl)propane2,2-Bis(hydroxymethyl)-1-butanolMethanol, (propanetriyl)tris-2-Ethyl-2-(hydroxymethyl)propanediolPropane, 1,1,1-tris(hydroxymethyl)-DTXSID2026448

Datenbank-Bezeichner

CAS
77-99-6
PubChem CID
6510
DTXSID
DTXSID2026448
ChEMBL
CHEMBL3185136
ChEBI
CHEBI:183310
UNII
090GDF4HBD
EC Number
201-074-9
Nikkaji
J35.936J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,8
Polarare Oberfläche (TPSA)
60,7 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
9
Formalladung
0
Komplexität
60,4

Experimentelle und physikochemische Eigenschaften

Polymers · 3 Einträge

Other Classes -> Alcohols and Polyols, Other

Plastics -> Heat stabilisers

Plastics -> N.a.

SpringerMaterials PropertiesBoiling point
LogP-0.5
Density1.084 g/cm³
Color/Form · 2 Einträge

WHITE POWDER OR PLATES

COLORLESS CRYSTALS

Solubility · 2 Einträge

SOL IN ALL PROP IN WATER, ALCOHOL; INSOL IN BENZENE, CARBON TETRACHLORIDE

Solubility in water at 20 °C: miscible

Flash Point172 °C c.c.
Boiling Point · 2 Einträge

160 °C @ 5 MM HG

292-297 °C

Melting Point · 2 Einträge

58 °C

58 °C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 94% (4784 of 5087) of all reports.

Not Classified

Aggregated GHS information provided per 5087 reports by companies from 12 notifications to the ECHA C&L Inventory.

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-

1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- 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)

REACH registered substance: Propylidynetrimethanol (EC: 201-074-9)

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

Other Safety InformationIMAP assessments - 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-: Human health tier I assessment
Fire HazardsCombustible. Finely dispersed particles form explosive mixtures in air.
Hazards SummaryCauses somnolence and respiratory depression in lethal-dose feeding studies of rats and mice; [RTECS] An eye and respiratory tract irritant; [ICSC] May cause irritation; [MSDSonline]
Chemical DangersReacts violently with strong oxidants.

Chemie und Industrie

Verwendung und Herstellung

Uses · 6 Einträge

Used to make varnishes, alkyd resins, polyesters, UV cross linking agents, and esters; Also used in synthetic drying oils, urethane foams and coatings, silicone lube oils, lactone plasticizers, textile finishes, surfactants, epoxidation products, and as a cross-linking agent for spandex fibers; [HSDB] Used to make resins in closed systems; [OECD SIDS: Trimethylolpropane]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

CONDITIONING AGENT; MFR OF VARNISHES, ALKYD RESINS; SYNTHETIC DRYING OILS; URETHANE FOAMS & COATINGS; SILICONE LUBE OILS; LACTONE PLASTICIZERS; TEXTILE FINISHES; SURFACTANTS; EPOXIDATION PRODUCTS

CHEM INT FOR POLYESTERS FOR POLYURETHANE FOAMS

CHEM INT FOR POLYESTERS FOR ALKYD SURFACE COATINGS

CHEM INT FOR PLASTICTZERS, EG, THE TRIHEPTANOATE ESTER

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Production · 3 Einträge

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

(1979) 1.68X10+10 GRAMS (ESTIMATE)

(1981) 1.62X10+10 GRAMS (ESTIMATE)

Consumer UsesPigment
Industry UsesNot Known or Reasonably Ascertainable
Methods of ManufacturingALDOL CONDENSATION OF N-BUTYRALDEHYDE WITH EXCESS FORMALDEHYDE IN THE PRESENCE OF A BASE CATALYST, EG, SODIUM HYDROXIDE
Household ProductsInformation on 21 consumer products that contain Trimethylolpropane in the following categories is provided:
Use Classification · 2 Einträge

Plastics -> Polymer Type -> N.a.

Plastics -> Heat stabilisers

Zugehörige Reaktionen

139
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 65293
HRID 65293als Produktuspto-grants-1986_09
Reaktionsgleichung von HRID 66693
HRID 66693als Produktuspto-grants-1982_08
Reaktionsgleichung von HRID 134575
HRID 134575als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 155940
HRID 155940als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 215706
HRID 215706als Produktals Eduktuspto-grants-2012_06
Reaktionsgleichung von HRID 223583
HRID 223583als Produktuspto-grants-1982_10
Reaktionsgleichung von HRID 247050
HRID 247050als Eduktuspto-grants-1987_11
Reaktionsgleichung von HRID 259382
HRID 259382als Eduktuspto-grants-1977_07
Seite 1 von 18

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Vapor Density
Relative vapor density (air = 1): 4.63
Vapor Pressure0.0000449 [mmHg]
Food Contact Substances · 6 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physikochemische Eigenschaften

Schmelzpunkt
56 · 56-58 °C(lit.)
Siedepunkt
159 · 159-161 °C2 mm Hg(lit.)
Dichte
1.176 · 1.176
Dampfdichte
4.8 · 4.8 (vs air)
Dampfdruck
1 mm · <1 mm Hg ( 20 °C)
Brechungsindex
1.485 · 1.4850 (estimate)
Flammpunkt
172 °C · 172 °C
storage temp.
30 °C · Store below +30°C.
Löslichkeit
2 O: · H2O: 0.1 g/mL, clear
pka
14.01 · 14.01±0.10(Predicted)
Aggregatzustand
Flakes
Farbe
White
PH
6.5 · 6.5 (100g/l, H2O, 20℃)(External MSDS)
Explosionsgrenze
2 · 2-11.8%(V)
Wasserlöslichkeit
soluble
BRN
1698309 · 1698309
Henry's Law Constant
1.2 · 1.2×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Kosmetik-Inhaltsstoffe Funktionen
HUMECTANTSOLVENT
InChI
1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChIKey
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
SMILES
CCC(CO)(CO)CO
LogP
-0.975 · -0.975 (est)
CAS Datenbank
77 · 77-99-6(CAS DataBase Reference)
NIST chemische Informationen
1 · 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-(77-99-6)
EPA chemische Informationen
Trimethylolpropane (77-99-6)
Hazard Classes and Categories · 2 Einträge

Not Classified

Reproductive toxicity - Category 1B

Explosive Limits and PotentialExplosive limits , vol% in air: 2.0-11.8

Sicherheit und Schutzausrüstung

Fire FightingUse water spray, powder, alcohol-resistant foam, carbon dioxide.
First Aid Measures · 4 Einträge

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.

Safe StorageSeparated from strong oxidants. Dry. Well closed.
Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. Wash away remainder with plenty of water.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Short Term ExposureMay cause mechanical irritation to the eyes and respiratory tract.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Signs and Symptoms · 3 Einträge

Cough.

Redness.

Cough.

Toxicity DataLC50 (rat) > 850 mg/m3/4h

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29054100
RTECS-Nr.
TY6470000
Toxizität
LD50 orally in Rabbit: > 2500 mg/kg
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids
Giftige Stoffe Daten
77-99-6(Hazardous Substances Data)
Hazard Classifications
Repr. 2
Selbstentzündungstemperatur
375 °C DIN 51794
General Manufacturing Information · 2 Einträge

Paint and Coating Manufacturing

1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTrimethylolpropane acts as a precursor to alkyd resins, high-gloss coatings and ion exchange resins. It is also employed as a multifunctional monomer utilized for the production of coatings, ethoxylated and propoxylated trimethylolpropane derivatives. Further, it serves as a building block in the polymer industry.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Film evaporatorFormaldehydButyraldehyd

Nachgelagerte Produkte

synthetic fiber oil QDH-101PolyurethaneFlame retardant for pure-dacronm-Tolylidendiisocyanat2-Allyloxymethyl-2-ethylpropandiol2,2-Bis(hydroxymethyl)butyric acid2,2-Bis(allyloxymethyl)butan-1-ol2-Ethyl-2-(hydroxymethyl)-1,3-propandiyldiacrylat2-Ethyl-2-[(3-mercapto-1-oxopropoxy)methyl]propan-1,3-diylbis[3-mercaptopropionat]

Ergänzende Hinweise

DefinitionChEBI: Trimethylolpropane is a primary alcohol. It is used as a precursor for the manufacture of resins including alkyds, saturated polyesters and polyurethanes (polyester polyol and polycarbonate diol).