2-Methyl-3-furanthiol

FEMA 3188 · 2-METHYLFURAN-3-THIOL · 2-Methyl-3-Mercapofuran · 3-Furanthiol, 2-methyl- · 2-methyl-3-sulfanylfuran · 2-METHYL-3-MERCAPTOFURAN · fish thiol · Oxycyclothione 030

https://huagongshe.com/ko/chemical/34286

식별자 및 물리적 특성

CAS No.	28588-74-1
분자식	C5H6OS
평균 분자량	114.17 g/mol
단동위원소 질량	114.01393581 g/mol
SMILES	Cc1occc1S
InChIKey	RUYNUXHHUVUINQ-UHFFFAOYSA-N
PubChem CID	34286
ChEMBL	CHEMBL3188696
ChEBI	CHEBI:167074
EC No.	249-094-7
DTXSID	DTXSID5047118

화학 및 물리적 성질

XLogP	1.5
극성 표면적	14.1
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	7
형식 전하	0
복잡도	65.1
향료	Fragrance Ingredient (2-Methyl-3-furanthiol) -> IFRA transparency List
식품 첨가물	FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	1.141-1.1501.145 g/mL at 25 °C
향미제	EU Flavoring substances
용해도	Insoluble in water,soluble in organic solvents,oilsMiscible at room temperature (in ethanol)클로로포름, 메탄올에 용해됨
끓는 점	57.00 to 60.00 °C. @ 44.00 mm Hg57-60 °C (44 mm Hg)57-60 °C/44 mmHg (lit.)
굴절률	1.509-1.530n20/D 1.518(lit.)
Physical Description	Pale pink to pale orange liquidaroma of roasted meat
증기 밀도	>1 (vs air)
FEMA	3188 \| 2-METHYL-3-FURANTHIOL
인화점	98 °F
저장 조건	Inert atmosphere,2-8°C
pKa(산도 계수)	6.32±0.48(Predicted)
물리적 상태	액체
비중	1.145
색상	투명~흐릿한 연분홍~연한 오렌지
냄새	구운 쇠고기 향
향취 유형	유황의
생물학적 소스	synthetic
JECFA Number	1060
주요 응용	향료 및 향
화장품 원료 기능	향수
InChI	1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKey	RUYNUXHHUVUINQ-UHFFFAOYSA-N
SMILES	Cc1occc1S
LogP(분배 계수)	2.14
NIST	2-Methyl-3-furanthiol(28588-74-1)
EPA	3-Furanthiol, 2-methyl- (28588-74-1)

화학적 성질

2-Methyl-3-furanthiol has an odor and taste of roasted meat

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1707 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 3-Furanthiol, 2-methyl-Regulation (EC) No 1831/2003 (amended)3-Furanthiol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - 3-Furanthiol, 2-methyl-: Environment tier I assessment
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	LU6235000
운송 번호(UN)	UN 1228 3/PG 3
독성	mouse,LD50,oral,100mg/kg (100mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
관세 코드	29321900
위험 문구(R)	10-25-36-26-2017/10/25
위험 표시	T,T+
안전 문구(S)	16-45-39-38-28-26
포장분류	III
위험 등급	3.2Acute Tox. 3 OralFlam. Liq. 3
저장 분류	3 - Flammable liquids

용도

개요

2-Methyl-3-furanthiol has an odor and taste of roasted meat.

출처

Reported found in fatty fish and raw chicken, cooked beef and coffee.

용도

2-Methyl-3-furanthiol is used in baking food, meat and spices.

일반 설명

2-Methyl-3-furanthiol, a sulfur-containing compound, is the key odorant in cooked ham, wine and canned tuna fish.

제조 및 합성 방법

제조 방법

By a patented process.