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HCID 12339생성일: 2026년 10월 27일

N-부틸메틸설파이드

N-부틸메틸설파이드 · METHYL BUTYL SULFIDE · 2-Thiahexane · butylmethylsulphide · 1-(Methylthio)butane · 1-(methylthio)-butan · BUTYL METHYL SULFIDE · Sulfide, butyl methyl

https://huagongshe.com/ko/chemical/12339

식별자 및 물리적 특성

CAS No.	628-29-5
분자식	C5H12S
평균 분자량	104.22 g/mol
단동위원소 질량	104.06597156 g/mol
SMILES	CCCCSC
InChIKey	WCXXISMIJBRDQK-UHFFFAOYSA-N
PubChem CID	12339
ChEBI	CHEBI:229342
EC No.	211-034-2
DTXSID	DTXSID0060852
현지명	N-부틸메틸설파이드

화학 및 물리적 성질

XLogP	2.1
극성 표면적	25.3
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	6
형식 전하	0
복잡도	19
Physical Description	Colorless liquid with an unpleasant odor[Alfa Aesar MSDS]
Kovats Retention Index	813811810.18158018038201032.61029.310511043
녹는점	-97.85°C
끓는 점	122-123°C
밀도	0,85 g/cm3
굴절률	1.4621
인화점	20°C
물리적 상태	액체
색상	무색 내지 거의 무색
냄새	프로필렌 글리콜 중 0.01%. 유황 마늘 양파 야채
향취 유형	유황의
후각 역치	0.00018ppm
비열	Cp(liquid): 1.93 J/(g·K), at 25℃
BRN	1730959
헨리 상수	3.4×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
LogP(분배 계수)	2.506 (est)
EPA	Butane, 1-(methylthio)- (628-29-5)

안전 및 규제

GHS 분류	DangerH225 (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 exposureRespiratory 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.
규제 정보	Commission Regulation (EC) No 1565/2000 (Repealed by Com.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/20120Butane, 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.
유해성 요약	May cause irritation[Alfa Aesar MSDS] See Diethyl sulfide.
Hazard Classes and Categories	Flam. Liq. 2 (100%)Skin Irrit. 2 (88.9%)Eye Irrit. 2 (88.9%)STOT SE 3 (88.9%)
TSCA 등재 상태	TSCA listed
운송 번호(UN)	1993
관세 코드	2930.20.9050
위험 문구(R)	11
안전 문구(S)	16-23-33

CAS No.

628-29-5

분자식

C5H12S

평균 분자량

104.22 g/mol

단동위원소 질량

104.06597156 g/mol

SMILES

CCCCSC

InChIKey

WCXXISMIJBRDQK-UHFFFAOYSA-N

PubChem CID

12339

ChEBI

CHEBI:229342

EC No.

211-034-2

DTXSID

DTXSID0060852

현지명

N-부틸메틸설파이드

화학 및 물리적 성질

XLogP

2.1

극성 표면적

25.3

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

Physical Description

Colorless liquid with an unpleasant odor[Alfa Aesar MSDS]

Kovats Retention Index

813811810.18158018038201032.61029.310511043

녹는점

-97.85°C

끓는 점

122-123°C

밀도

0,85 g/cm3

굴절률

1.4621

인화점

20°C

물리적 상태

액체

색상

무색 내지 거의 무색

냄새

프로필렌 글리콜 중 0.01%. 유황 마늘 양파 야채

향취 유형

유황의

후각 역치

0.00018ppm

비열

Cp(liquid): 1.93 J/(g·K), at 25℃

BRN

1730959

헨리 상수

3.4×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)

LogP(분배 계수)

2.506 (est)

EPA

Butane, 1-(methylthio)- (628-29-5)

안전 및 규제

GHS 분류

DangerH225 (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 exposureRespiratory 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.

규제 정보

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/20120Butane, 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.

유해성 요약

May cause irritation[Alfa Aesar MSDS] See Diethyl sulfide.

Hazard Classes and Categories

Flam. Liq. 2 (100%)Skin Irrit. 2 (88.9%)Eye Irrit. 2 (88.9%)STOT SE 3 (88.9%)

TSCA 등재 상태

TSCA listed

운송 번호(UN)

1993

관세 코드

2930.20.9050

위험 문구(R)

안전 문구(S)

16-23-33