Butylmethylsulfid

Butyl methyl sulfide

HCID 12339CAS 628-29-5
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Grundinformationen

Standard-SMILES
CCCCSC
InChIKey
WCXXISMIJBRDQK-UHFFFAOYSA-N
Summenformel
C5H12S
Durchschnittliche Molmasse
104,22 g/mol
Monoisotopische Masse
104,06597156

Namen und Bezeichner

Bevorzugter Name
Butyl methyl sulfide
IUPAC
1-methylsulfanylbutane
Lokaler Name
Butylmethylsulfid
Englischer Name
n-Butyl methyl sulfide
Summenformel
C5H12S
Molmasse
104.21

Namen und Synonyme

Butyl methyl sulfide628-29-5n-Butyl methyl sulfideButane, 1-(methylthio)-1-methylsulfanylbutaneButyl methyl sulphide1-(Methylthio)butane2-THIAHEXANESulfide, butyl methylMethyl butyl sulfideMFCD00015256Butyl methyl thioether
Weitere Namen anzeigen
butylmethylsulphide1-(methylthio)-butanbutane,1-(methylthio)-
2N5IMB9XAP.alpha.-(Methylthio)butaneMethyl butyl sulphide1-(Methylsulfanyl)butaneUNII-2N5IMB9XAPbutyl(methyl)sulfaneEINECS 211-034-21-methylsulanylbutane

Datenbank-Bezeichner

CAS
628-29-5
PubChem CID
12339
DTXSID
DTXSID0060852
ChEBI
CHEBI:229342
UNII
2N5IMB9XAP
EC Number
211-034-2
Nikkaji
J44.104J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
25,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
3
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Physical DescriptionColorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Kovats Retention Index · 3 Einträge

813；811；810.1

815；815；815；810；810；801；803；820

1032.6；1029.3；1051；1043

Physikochemische Eigenschaften

Schmelzpunkt
-97.85 °C · -97.85°C
Siedepunkt
122 · 122-123°C
Dichte
0 · 0,85 g/cm3
Brechungsindex
1.4621 · 1.4621
Flammpunkt
20 °C · 20°C
Aggregatzustand
liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 3 Einträge

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

Status: Cease Manufacture Update: 28-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20120

Butane, 1-(methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Diethyl sulfide.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (88.9%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (88.9%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

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

Status: Cease Manufacture Update: 28-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20120

Butane, 1-(methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

tsca
TSCA listed
ridadr
1993
hs_code
2930.20.9050
risk_code
11
safety_code
16-23-33
hazard_class
3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButane, 1-(methylthio)-: ACTIVE

Anbieter40 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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