CAS 77-75-8 3-Methyl-1-pentyn-3-ol (HCID 6494)

Überblick

Methylpentynol is a ynone.

Namen und Bezeichner

Bevorzugter Name: 3-Methyl-1-pentyn-3-ol
IUPAC: 3-methylpent-1-yn-3-ol
Lokaler Name: 3-Methyl-1-pentin-3-ol
Englischer Name: 3-Methyl-1-pentyn-3-ol
Summenformel: C6H10O
Molmasse: 98.14

Namen und Synonyme

3-Methyl-1-pentyn-3-olMeparfynol77-75-8Methylpentynol3-Methylpent-1-yn-3-olMethylparafynolSeralAllotropalDormidinDormigenDormiphenDormison

Weitere Namen anzeigen

BDHUTILDalgolComesaOlosotSDR9C1Dorison

DormosanFormisonImnudormMelpintolPentadormPerlopalSomnesinApridol

Datenbank-Bezeichner

CAS: 77-75-8
PubChem CID: 6494
DTXSID: DTXSID5021756
ChEMBL: CHEMBL501613
ChEBI: CHEBI:134752
UNII: B017BC5B1N
EC Number: 201-055-5
Nikkaji: J4.212I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 98

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

DEA NFLIS-Drug Category -> Depressants and Tranquilizers

Pharmaceuticals -> Hypnotics

PolymersOther Classes -> Alcohols and Polyols, Other

Vapor Pressure5.25 [mmHg]

Physical DescriptionLiquid with an acrid odor; [Merck Index] Clear slightly yellow liquid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -30 °C · -30 °C
Siedepunkt: 121 · 121-122 °C(lit.)
Dichte: 0.866 g/mL · 0.866 g/mL at 25 °C(lit.)
Dampfdichte: 3 · 3 (vs air)
Dampfdruck: 6.5 mm · 6.5 mm Hg ( 20 °C)
Brechungsindex: 20 · n20/D 1.431(lit.)
Flammpunkt: 80 °F · 80 °F
storage temp.: Flammables area
Löslichkeit: Cellosolve: miscible
pka: 13.34 · 13.34±0.29(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Explosionsgrenze: 1.8 · 1.8-16.0%(V)
Merck: 13 · 13,5870
BRN: 969340 · 969340
Henry's Law Constant: 9.9 · 9.9×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
CAS Datenbank: 77 · 77-75-8(CAS DataBase Reference)
NIST chemische Informationen: Meparfynol(77-75-8)
EPA chemische Informationen: 3 · 3-Methyl-1-pentyn-3-ol (77-75-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P273, P280, P301+P317, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 170 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1-Pentyn-3-ol, 3-methyl-

Status: Active Update: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11071

3-Methyl-1-pentyn-3-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes somnolence and convulsions in subcutaneous lethal-dose studies of mice; [RTECS] May cause serious eye injury; Harmful by ingestion; [ECHA REACH Registrations] May cause irritation and CNS depression; Harmful by ingestion; [Acros Organics MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 1986 3/PG 3
hs_code: 29280090
RTECS-Nr.: SC4900000
risk_code: 10-22-51/53-2017/10/22
Toxizität: LD50 orally in mice, rats, guinea pigs: 600-900 mg/kg (Margolin)
hazard_code: Xn,F+
safety_code: 23-36-61
hazard_class: 3
packing_group: III

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

N - Nervous system

QN - Nervous system

Verwendung und Herstellung

UsesUsed as a hypnotic and sedative; [Merck Index] Used as an intermediate; [ECHA REACH Registrations]

General Manufacturing Information1-Pentyn-3-ol, 3-methyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenStabilizer in chlorinated solvents, viscousreducer, electroplating brightener, intermediate insyntheses of hypnotics and isoprenoid chemicals,solvent for polyamide resins, acid inhibitor, preven-tion of hydrogen embrittlement, medicine (soporificand anesthetic).