기본 정보
- 표준 SMILES
Cc1ccc(C)o1- InChIKey
GSNUFIFRDBKVIE-UHFFFAOYSA-N- 분자식
- C6H8O
- 평균 분자량
- 96.13 g/mol
- 단동위원소 질량
- 96.05751488
개요
2,5-dimethylfuran is a clear yellow oily liquid. Aromatic caustic odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2,5-Dimethylfuran
- IUPAC
- 2,5-dimethylfuran
- 현지명
- 2.5-디메틸퓨란
- 영어명
- 2,5-Dimethylfuran
- 분자식
- C6H8O
- 분자량
- 96.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
625-86-5- PubChem CID
- 12266
- DTXSID
DTXSID7022093- ChEMBL
CHEMBL1416448- ChEBI
CHEBI:89052- UNII
- DR5HL9OJ7Y
- EC Number
- 210-914-3
- Nikkaji
- J45.569E
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 13.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 53.2
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Ethers, Other
Flammable agents - 3rd degree
LogP
2.24
2.24
Density
0.8883 at 68 °F (NTP, 1992) - Less dense than water; will float
0.892-0.898
Solubility
less than 1 mg/mL at 72.5 °F (NTP, 1992)
Slightly soluble in water
Soluble (in ethanol)
Boiling Point
198 to 201 °F at 760 mmHg (NTP, 1992)
92.00 to 94.00 °C. @ 760.00 mm Hg
93 °C
Melting Point
-81 °F (NTP, 1992)
-63 °C
Vapor Pressure
53 mmHg at 72 °F ; 174 mmHg at 124 °F; 404 mmHg at 167 °F (NTP, 1992)
25.9 [mmHg]
물리화학적 성질
- 녹는점
- -62 °C · -62 °C
- 끓는 점
- 92 · 92-94 °C(lit.)
- 밀도
- 0.905 g/mL · 0.905 g/mL at 20 °C
- 증기 밀도
- 3.31 · 3.31 (vs air)
- 굴절률
- 20 · n20/D 1.441(lit.)
- FEMA
- 4106 · 4106 | 2,5-DIMETHYLFURAN
- 인화점
- 29 °F · 29 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 무색~황색 투명
- Specific Gravity
- 0.903 · 0.903
- 냄새
- 10 % · 프로필렌 글리콜 중 10.00%. 화학적으로 미묘한 고기 그레이비 로스트 비프 베이컨
- 냄새 유형
- 고기가 많은
- 수용성
- 물과 약간 섞임. 에탄올 및 지방과 혼합됩니다.
- JECFA Number
- 1488 · 1488
- BRN
- 106449 · 106449
- 안정성
- 감광성, 휘발성
- InChI
- 1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
- InChIKey
- GSNUFIFRDBKVIE-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C)o1
- LogP
- 2.24 · 2.24
- 표면장력
- 25.42 mN/m · 25.42mN/m at 293.15K
- NIST
- 2 · Furan, 2,5-dimethyl-(625-86-5)
- EPA
- 2 · 2,5-Dimethylfuran (625-86-5)
화학적 성질
clear colorless to amber liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 62.8% (91 of 145) of all reports.
Danger
H225 (37.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Furan, 2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Furan, 2,5-dimethyl- 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)
Furan, 2,5-dimethyl-: 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.)
Health Hazards
SYMPTOMS: Exposure to this compound may cause skin, eye and mucous membrane irritation. Other symptoms of exposure include conjunctivitis, corneal damage, nausea, vomiting, abdominal pain, headache, dizziness, cyanosis, dermatitis, collapse, respiratory distress, convulsions, blistering and ulceration of skin, gangrene, erythema, vertigo, lowered body temperature, chronic lung disease, kidney and liver damage, and coma.
Peroxide Forming Chemical
2,5-Dimethylfuran
B*: Compounds that form peroxides on concentration (distillation/evaporation)
Fábos et al.
Hazard Classes and Categories
Flam. Liq. 2 (37.2%)
Flammable agents - 3rd degree
안전 및 보호
First Aid
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LU0875000
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 29321900
- risk_code
- 11-22-2017/11/22
- hazard_code
- F,Xn
- safety_code
- 16
- 포장분류
- II
- 위험 등급
- 3
- F 고인화성물질
- 8
- 위험 참고 사항
- Harmful/Flammable
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
용도 및 제조
Uses
A volatile constituent of tobacco smoke and roasted coffee aroma; Also a human metabolite of n-hexane; [CDC] Used as flavoring agent or adjuvant; [FDA]
Its blood concentration can be used as a biomarker for smoking. While it may be abbreviated DMF, it should not be confused with dimethylformamide.
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Furan, 2,5-dimethyl-: ACTIVE
응용 분야
출처Reported found in beef, chicken, cocoa, coffee, egg, malt, rice, and rum.
용도2,5-Dimethylfuran is a major metabolite of hexane with singlet oxygen scavenging ability. It is used as biofuel, biomaker for smoking, pharmaceutical intermediate and in organic synthesis. It is also used to analyze samples for the derivatization of carbonyl-containing compounds to their oximes.
일반 설명Clear yellow oily liquid. Aromatic caustic odor.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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