N-부틸메틸설파이드

Butyl methyl sulfide

HCID 12339CAS 628-29-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCSC
InChIKey
WCXXISMIJBRDQK-UHFFFAOYSA-N
분자식
C5H12S
평균 분자량
104.22 g/mol
단동위원소 질량
104.06597156

이름 및 식별자

우선 이름
Butyl methyl sulfide
IUPAC
1-methylsulfanylbutane
현지명
N-부틸메틸설파이드
영어명
n-Butyl methyl sulfide
분자식
C5H12S
분자량
104.21

이름 및 동의어

Butyl methyl sulfide628-29-5n-Butyl methyl sulfideButane, 1-(methylthio)-1-methylsulfanylbutaneButyl methyl sulphide1-(Methylthio)butane2-THIAHEXANESulfide, butyl methylMethyl butyl sulfideMFCD00015256Butyl methyl thioether
이름 더 보기
N-부틸메틸설파이드butylmethylsulphide1-(methylthio)-butanbutane,1-(methylthio)-
2N5IMB9XAP.alpha.-(Methylthio)butaneMethyl butyl sulphide1-(Methylsulfanyl)butaneUNII-2N5IMB9XAPbutyl(methyl)sulfaneEINECS 211-034-21-methylsulanylbutane

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.1
극성 표면적
25.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
6

실험 및 물리화학적 성질

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

813；811；810.1

815；815；815；810；810；801；803；820

1032.6；1029.3；1051；1043

물리화학적 성질

녹는점
-97.85 °C · -97.85°C
끓는 점
122 · 122-123°C
밀도
0 · 0,85 g/cm3
굴절률
1.4621 · 1.4621
인화점
20 °C · 20°C
물리적 상태
액체

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 3건

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%)

규제 정보

Regulatory Information · 3건

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.

안전 데이터

tsca
TSCA listed
ridadr
1993
HS 번호
2930.20.9050
risk_code
11
safety_code
16-23-33
포장분류
II

화학 및 산업

용도 및 제조

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

공급사40 곳

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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