기본 정보
- 표준 SMILES
CCCCOC- InChIKey
CXBDYQVECUFKRK-UHFFFAOYSA-N- 분자식
- C5H12O
- 평균 분자량
- 88.15 g/mol
- 단동위원소 질량
- 88.088815
개요
Butyl methyl ether appears as a clear liquid. Less dense than water and slightly soluble in water. Vapors heavier than air. May be toxic by inhalation or skin absorption and irritating to skin. Used as a gasoline additive.
이름 및 식별자
- 우선 이름
- Butyl methyl ether
- IUPAC
- 1-methoxybutane
- 현지명
- 뷰틸 메틸 에테르
- 영어명
- N-BUTYL METHYL ETHER
- 분자식
- C5H12O
- 분자량
- 88.15
이름 및 동의어
1-MethoxybutaneBUTYL METHYL ETHERButane, 1-methoxy-EINECS 211-033-7buthyl methly esterUN2350n-C4H9OCH3DTXSID5074559UN 2350alphaMethoxybutaneButane, 1methoxyMethyl nbutyl ether
이름 더 보기
부틸메틸에테르뷰틸메틸에테르뷰틸메틸에테르뷰틸 메틸 에테르1-메톡시부탄Methyl butyl etherBUTHYLMETHYLETHERα-methoxybutane1-methoxy-butanmethylbutyletherButylmethlyetherbutane,1-methoxy-
RefChem:122275Butane, 1methoxy (9CI)Butane, 1-methoxy-(9CI)DTXCID1043542211-033-7CXBDYQVECUFKRK-UHFFFAOYSA-NInChI=1/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H628-28-4
데이터베이스 식별자
- CAS
628-28-4- PubChem CID
- 12338
- DTXSID
DTXSID5074559- EC Number
- 211-033-7
- Nikkaji
- J43.346B
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 19.9
실험 및 물리화학적 성질
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Ethers (<C12)
SpringerMaterials PropertiesChemical shift
LogP1.66
Vapor Pressure139.0 [mmHg]
Physical Description
Butyl methyl ether appears as a clear liquid. Less dense than water and slightly soluble in water. Vapors heavier than air. May be toxic by inhalation or skin absorption and irritating to skin. Used as a gasoline additive.
Clear liquid; [CAMEO] Clear colorless liquid; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 115 °C · −115 °C(lit.)
- 끓는 점
- 70 · 70-71 °C(lit.)
- 밀도
- 0.744 g/mL · 0.744 g/mL at 25 °C(lit.)
- 증기압
- 139 mm · 139 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.374(lit.)
- 인화점
- 14 °F · 14 °F
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 비열
- 2.19 J/ · Cp(liquid): 2.19 J/(g·K), at 25℃
- BRN
- 1696931 · 1696931
- Henry's Law Constant
- 6.6 · 6.6×10-3 mol/(m3Pa) at 25℃, Brockbank (2013)
- InChI
- 1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
- InChIKey
- CXBDYQVECUFKRK-UHFFFAOYSA-N
- SMILES
- CCCCOC
- LogP
- 1.66 · 1.660
- EPA
- 1 · Butane, 1-methoxy- (628-28-4)
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Butyl methyl ether: HSNO Approval: HSR001245 Approved with controls
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
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· Inhalation or contact with material may irritate or burn skin and eyes.
Hazards Summary
Highly flammable; Readily oxidized by air producing explosive peroxides; [CAMEO] Causes general anesthesia in inhalation lethal-concentration studies of mice; Causes changes in liver weight and estrogenic effects in 14-day intermittent study of rats (16,800 mg/kg); [RTECS] May form explosive peroxides; May cause irritation; [Aldrich MSDS]
DOT ID and Guide2350 127
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity Profile
BUTYL METHYL ETHER can act as a base to form salts or addition compounds with strong acids. May react violently with strong oxidizing agents. Oxidizes readily in air. Relatively unreactive in other reactions, which typically involve the breaking of the carbon-oxygen bond.
DOT Hazard Classification
Butyl methyl ether
UN2350
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Oxidizes readily in air to form unstable peroxides that may explode spontaneously [Bretherick 1979 p.151-154, 164]. Less dense than water and slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree, Reactive agents - 1st degree
안전 및 보호
Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Accidental Release Measures
· 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
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 176,000 mg/m3/15min
안전 데이터
- wgk
- 3
- rtecs
- KN5240000
- ridadr
- UN 2350
- HS 번호
- 2909.30.6000
- risk_code
- 11-19
- hazard_code
- F
- safety_code
- 16-23
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-04332
- F 고인화성물질
- 10-23
- Hazard Classifications
- Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
Uses
Used as a gasoline additive; [CAMEO]
Petroleum Production and Refining [Category: Industry]
응용 분야
용도Butyl Methyl Ether (n-Butyl methyl ether) is an important organic ether compound that can be used as a gasoline additive.
일반 설명A clear liquid. Flash point 95°F. Less dense than water and slightly soluble in water. Vapors heavier than air. May be toxic by inhalation or skin absorption and irritating to skin. Used as a gasoline additive.
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