기본 정보
- 표준 SMILES
SCc1ccco1- InChIKey
ZFFTZDQKIXPDAF-UHFFFAOYSA-N- 분자식
- C5H6OS
- 평균 분자량
- 114.17 g/mol
- 단동위원소 질량
- 114.01393598
이름 및 식별자
- 우선 이름
- 2-Furanmethanethiol
- IUPAC
- furan-2-ylmethanethiol
- 영어명
- Furfuryl mercaptan
- 분자식
- C5H6OS
- 분자량
- 114.17
이름 및 동의어
Furfuryl mercaptan98-02-22-FURANMETHANETHIOL2-Furylmethanethiol2-Furylmethyl mercaptan2-Furfurylmercaptan2-FurfurylthiolFEMA No. 2493DTXSID705265429W096TCPGNSC-41142DTXCID4031227
이름 더 보기
FEMA 2493Furfural mercaptanALPHA-FURFURYL MERCAPTANusafb-58NSC 41142USAF B-58Coffee mercaptan
RefChem:607800202-628-2Furfuryl thiolfuran-2-yl-methanethiolfuran-2-ylmethanethiolFurfurylmercaptan2-(Mercaptomethyl)furan175236-33-6
데이터베이스 식별자
- CAS
98-02-2- PubChem CID
- 7363
- DTXSID
DTXSID7052654- ChEMBL
CHEMBL3560314- ChEBI
CHEBI:166536- UNII
- 29W096TCPG
- EC Number
- 202-628-2
- Nikkaji
- J21.666F
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 14.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 56
실험 및 물리화학적 성질
Density1.125-1.135 (20 °C)
Solubility
5000 mg/L @ 20 °C (exp)
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
263.00 to 265.00 °C. @ 17.00 mm Hg
154-155 °C
Melting Point113.00 to 115.00 °C. @ 760.00 mm Hg
Refractive Index1.527-1.542
Physical DescriptionColourless oily liquid; extremely powerful and diffusive odour which on dilution becomes agreeable, coffee-like, caramellic-burnt, sweet
Kovats Retention Index
883；891；883；883；901；888；889；887；881；892；894；907；900；901；903；878；878；883；890；892
907；915；911；911；907；928；914；915；908；912；915；918；918；918；909；913；909；909；910；909
1439；1417；1432；1437；1425；1435；1443；1425；1424；1427；1430；1423；1430；1430；1431；1420；1431；1431；1414；1431
물리화학적 성질
- 녹는점
- 157.5 °C · 157.5 °C
- 끓는 점
- 155 °C · 155 °C(lit.)
- 밀도
- 1.132 g/mL · 1.132 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.531(lit.)
- FEMA
- 2493 · 2493 | FURFURYL MERCAPTAN
- 인화점
- 113 °F · 113 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 산도 계수 (pKa)
- 9.59 · 9.59±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~담황색 투명
- 냄새
- 0.1 % · 디프로필렌 글리콜 중 0.10%. 유황 로스팅 커피 기름진 지방 탄 스모키
- 냄새 유형
- 커피
- 생물학적 소스
- synthetic
- 수용성
- 불용성
- JECFA Number
- 1072 · 1072
- BRN
- 383594 · 383594
- 안정성
- 공기에 민감한
- 주요 응용
- 향료 및 향
- 화장품 원료 기능
- 향수
- InChI
- 1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
- InChIKey
- ZFFTZDQKIXPDAF-UHFFFAOYSA-N
- SMILES
- SCc1ccco1
- LogP
- 1.73 · 1.73
- NIST
- 2 · 2-Furanmethanethiol(98-02-2)
- EPA
- 2 · 2-Furanmethanethiol (98-02-2)
화학적 성질
Furfuryl mercaptan has a characteristic unpleasant odor.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1702) of reports.
Warning
H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1702 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 1702 reports by companies.；There are 4 notifications provided by 1701 of 1702 reports by companies with hazard statement code(s).；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
Chemical: 2-Furanmethanethiol
Regulation (EC) No 1831/2003 (amended)
2-Furanmethanethiol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Furanmethanethiol: Environment tier I assessment
Hazard Classes and Categories
Flam. Liq. 3 (> 99.9%)
Flammable liquids - Category 3
규제 정보
Regulatory Information
Chemical: 2-Furanmethanethiol
Regulation (EC) No 1831/2003 (amended)
2-Furanmethanethiol: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LU2100000
- ridadr
- UN 3336 3/PG 3
- HS 번호
- 29321900
- risk_code
- 10-36/37-20/21/22
- hazard_code
- F,Xn
- safety_code
- 23-24/25-16-36-26-7/9
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-17370
- F 고인화성물질
- 10-13-23
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances added to foods and medicine to improve the taste.
Cellular LocationsCytoplasm；Extracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Furanmethanethiol: ACTIVE
응용 분야
개요Furfuryl mercaptan has a characteristic unpleasant odor. It is prepared by reacting thiourea and furfuryl chloride with subsequent hydrolysis of the reaction product; also by reduction of difurfuryl disulfide in alcoholic solution using zinc dust and a small amount of acetic acid or using activated alumina. Furfuryl mercaptan tends to polymerize when heated in the presence of mineral acids.
출처Reported found in raw and roasted chicken, cooked beef, grilled pork, sesame seed oil, coffee and popcorn; tends to polymerize when heated in the presence of mineral acids
용도Furfuryl Mercaptam is a volatile flavor component of corn tortilla chips.
일반 설명Darkens on storage
제조 방법
Furfuryl mercaptan is prepared from furfuryl alcohol, thiourea, and hydrogen chloride.The resulting S-furfurylisothiouronium chloride is cleaved with sodium hydroxide to give furfuryl mercaptan.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江西林缘香料有限公司13879661494 13879661494
Cangzhou Wanyou New Material Technology Co.,Ltd18631714998 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
吉良化学21-62165282 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
관련 반응
43건
연결된 노트
불러오는 중…