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HCID 78151생성일: 2026년 10월 26일

2-Butyl isothiocyanate

2-BUTYL ISOTHIOCYANATE · AKOS B016332 · ART-CHEM-BB B016332 · 2-ISOTHIOCYANATO-BUTANE · SEC-BUTYL ISOTHIOCYANATE · Butane, 2-isothiocyanato- · 2-Butyl isothiocyate, 98% · sec-ButylIsothiocyanate>sec-Butylisothiocyanate,97%

https://huagongshe.com/ko/chemical/78151

2-Butyl isothiocyanate 분자 구조식

식별자 및 물리적 특성

CAS No.4426-79-3
분자식C5H9NS
평균 분자량115.2 g/mol
단동위원소 질량115.04557029 g/mol
SMILESCCC(C)N=C=S
InChIKeyTUFJIDJGIQOYFY-UHFFFAOYSA-N
PubChem CID78151
ChEMBLCHEMBL3593576
EC No.224-609-8
DTXSIDDTXSID80863392

화학 및 물리적 성질

XLogP2.8
극성 표면적44.5
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수2
무거운 원자 수7
형식 전하0
복잡도84.1
식품 첨가물FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도0.938-0.946
용해도Very slightly soluble in waterfreely soluble in etherSoluble (in ethanol)
끓는 점69-70 °C (27 mm Hg)58 °C
굴절률1.490-1.4971.4920-1.4950
Physical DescriptionColourless to yellow liquidSharp green slightly irritating aroma
FEMA4419 | 2-BUTYLISOTHIOCYANATE
물리적 상태clear liquid to slightly cloudy liquid
색상Colorless to Yellow to Green
비중0.93
냄새프로필렌 글리콜 중 0.01%. 녹색
향취 유형녹색
JECFA Number1890
InChIKeyTUFJIDJGIQOYFY-UHFFFAOYSA-N
LogP(분배 계수)2.81

화학적 성질

Colorless to yellow liquid; sharp green, slightly irritating aroma.

안전 및 규제

GHS 분류DangerH226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)
운송 번호(UN)2927
관세 코드2930.90.9250
위험 문구(R)23/24/25-36/37/38-36
안전 문구(S)26-27-38
포장분류III
위험 등급8

용도

출처

Reported found in Cardamine amara.