2-메틸퓨란

2-Methylfuran

HCID 10797CAS 27137-41-3

기본 정보

표준 SMILES
Cc1ccco1
InChIKey
VQKFNUFAXTZWDK-UHFFFAOYSA-N
분자식
C5H6O
평균 분자량
82.1 g/mol
단동위원소 질량
82.04186481

개요

2-methylfuran appears as a clear colorless liquid with an ethereal odor. Flash point -22 °F. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.

이름 및 식별자

우선 이름
2-Methylfuran
IUPAC
2-methylfuran
현지명
2-메틸퓨란
영어명
2-Methylfuran
분자식
C5H6O
분자량
82.1

이름 및 동의어

2-METHYLFURAN534-22-5SilvanSylvan2-Methyl furanFuran, 2-methyl-5-Methylfuranalpha-Methylfuran2-METHYL-FURANDTXSID902561151O3BGW3F2NSC-3707
이름 더 보기
2-메틸퓨란2-메틸퓨란(2-METHYLFURAN)MEF2-methylfuraneFuran,2-methyl-FEMA 41792-methyl-furaNSC 3707NSC 5211
DTXCID405611FEMA NO. 4179CHEBI:88912RefChem:88322208-594-5MethylfuranFuran, methyl-.alpha.-Methylfuran

데이터베이스 식별자

CAS
27137-41-3、534-22-5
PubChem CID
10797
DTXSID
DTXSID9025611
ChEMBL
CHEMBL1445555
ChEBI
CHEBI:88912
UNII
51O3BGW3F2
EC Number
208-594-5、248-253-8
Nikkaji
J6.337A

물성

구조 계산 물성

XLogP
1.8
극성 표면적
13.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Ethers, Other

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
LogP · 2건

1.85

1.85

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 3건

0.9132 at 68 °F (NTP, 1992) - Less dense than water; will float

0.908-0.917

0.827 @ 20°C

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
-88.7 °C · -88.7 °C
끓는 점
63 · 63-66 °C (lit.)
밀도
0.91 g/mL · 0.91 g/mL at 25 °C (lit.)
증기 밀도
2.8 · 2.8 (vs air)
증기압
139 mm · 139 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.433(lit.)

화학적 성질

2-Methylfuran is a cyclic diene possessing ether-like properties. It is highly reactive with many inorganic and organic compounds yielding a variety of new derivatives which await exploration for the development of commercial applications.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.2% (1 of 468) of reports.

Danger

H225 (99.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 468 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 6건

Chemical: Furan, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Furan, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Furan, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26140

2-Methylfuran: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Hazards Summary · 1건

Causes liver changes and somnolence in inhalation studies of rats; [RTECS] Furan-substituted aliphatic hydrocarbons have not been evaluated for safe use as flavoring agents due to unresolved toxicological concerns, mainly being the carcinogenicity of furan in animal experiments; [JECFA] Contains 0.024% BHT (CAS# 128-37-0) as a stabilizer; May cause irritation; Toxic by inhalation; [Sigma-Aldrich MSDS] See Furan.

DOT ID and Guide2301 128

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Immediate precautionary measure

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 500 ppm/4hr

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
LU2625000
ridadr
UN 2301
독성
LD50 orally in Rabbit: 167 mg/kg
HS 번호
29321900

화학 및 산업

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesIntermediate
Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

Pharmaceutical and Medicine Manufacturing

Furan, 2-methyl-: ACTIVE

응용 분야 · 3건

출처Reported found in cooked beef, bread, butter, chicken, cocoa, coffee, currant, mint, tea and tomato.

용도2-Methylfuran is a volatile organic compound (VOCs) used as a potential non-intrusive tool for screening of lung cancer.

일반 설명A clear colorless liquid with an ethereal odor. Flash point -22°F. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.

관련 반응

64건

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