Ethyl isothiocyanate (HCID 10966)

개요

Ethyl isothiocyanate is an isothiocyanate having an ethyl group attached to the nitrogen. It has a role as an allergen.

이름 및 식별자

우선 이름: Ethyl isothiocyanate
IUPAC: isothiocyanatoethane
현지명: 이소티오시안산에틸에스테르
영어명: Ethyl isothiocyanate
분자식: C3H5NS
분자량: 87.14

이름 및 동의어

Ethyl isothiocyanate542-85-8IsothiocyanatoethaneEthane, isothiocyanato-ETHYLISOTHIOCYANATEIsothiocyanic acid, ethyl esterNSC-84212FEMA NO. 4420CHEBI:850983284MJ2T8PDTXSID2060258RefChem:138969

이름 더 보기

이소티오시안산에틸에스테르에틸 아이소티오사이아네이트Ethyl senfoelethylmustardoilEthyl mustard oilAKOS BBS-00004372ethyl isorhodanideethyl isorhodanateETHYL ISOTHIOCYNATEethyl isothiocyanideethyleisothiocyanate

DTXCID6041632208-831-2MFCD00004820isothiocyanato-ethaneEthyl isothiocyanate, 97%CCRIS 7323EINECS 208-831-2NSC 84212

데이터베이스 식별자

CAS: 542-85-8
PubChem CID: 10966
DTXSID: DTXSID2060258
ChEMBL: CHEMBL2251727
ChEBI: CHEBI:85098
UNII: 3284MJ2T8P
EC Number: 208-831-2
Nikkaji: J33.544D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 53.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.997-1.004

Solubility · 2건

Very slightly soluble in water; freely soluble in ether

Soluble (in ethanol)

Boiling Point130-132 °C

Refractive Index1.510-1.515

물리화학적 성질

녹는점: -6 °C · -6 °C
끓는 점: 130 · 130-132 °C(lit.)
밀도: 0.995 g/mL · 0.995 g/mL at 25 °C(lit.)
증기압: 15.199 hPa · 15.199hPa at 25℃
굴절률: 20 · n20/D 1.512(lit.)
FEMA: 4420 · 4420 | ETHYL ISOTHIOCYANATE
인화점: 90 °F · 90 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: Chloroform (Sparingly), Ethyl Acetate (Soluble)
물리적 상태: 액체
색상: 무색투명~미황색
Specific Gravity: 0.995 · 0.995
수소이온지수(pH): 6.3 · 6.3 (H2O, 20℃)
냄새: 0.01 % · 프로필렌 글리콜 중 0.01%. 매운 머스타드 마늘
냄새 유형: 매운 맛
생물학적 소스: synthetic
수용성: 물과 반응합니다. 염소화 및 방향족 탄화수소에 용해됩니다. 에탄올과 에테르에 섞임.
Merck: 14 · 14,3815
JECFA Number: 1885 · 1885
BRN: 1737705 · 1737705
Dielectric constant: 19.7 · 19.7(20℃)
안정성: 공기 민감성, 흡습성, 수분 민감성, 휘발성
InChI: 1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChIKey: HBNYJWAFDZLWRS-UHFFFAOYSA-N
SMILES: CCN=C=S
LogP: 1.47 at · 1.47 at 25℃ and pH7
EPA: Ethane, isothiocyanato- (542-85-8)

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (94.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P391, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 16-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26906

Hazard Classes and CategoriesFlam. Liq. 3 (94.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NX8590000
ridadr: UN 3286 3/PG 2
HS 번호: 29309090
risk_code: 10-23/24/25-34-42/43-50-36/37
hazard_code: T,N,F
safety_code: 23-26-36/37/39-45-61-16-7/9
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Flam. Liq. 3Resp. Sens. 1Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

Use ClassificationFlavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationEthane, isothiocyanato-: ACTIVE

응용 분야

출처Reported found in horseradish

용도Military poison gas.

상·하류 제품 정보

하류 제품

Cefotiam Thiourea, N-ethyl-N'-methyl-에틸이소시아나이드 4-Ethyl-3-thiosemicarbazide Ethylthiocyanate 1-Ethyl-3-phenyl-2-thiourea N,N'-디에틸티오요소 1,2,3,4-Thiatriazol-5-amine, N-ethyl-3H-1,2,4-Triazole-3-thione, 5-amino-4-ethyl-2,4-dihydro-1-ETHYL-1H-이미다졸-2-티오L AKOS B029106 4-Ethyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

추가 설명

정의ChEBI: An isothiocyanate having an ethyl group attached to the nitrogen.

연결된 노트

불러오는 중…

이소티오시안산에틸에스테르

기본 정보

개요