기본 정보
- 표준 SMILES
CCCC(C)(C)O- InChIKey
WFRBDWRZVBPBDO-UHFFFAOYSA-N- 분자식
- C6H14O
- 평균 분자량
- 102.17 g/mol
- 단동위원소 질량
- 102.10446507
개요
2-methylpentan-2-ol appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- 2-Methylpentan-2-ol
- IUPAC
- 2-methylpentan-2-ol
- 현지명
- 메틸(2-)-2-펜탄올
- 영어명
- 2-Methyl-2-pentanol
- 분자식
- C6H14O
- 분자량
- 102.17
이름 및 동의어
2-METHYL-2-PENTANOL2-Methylpentan-2-ol590-36-32-Pentanol, 2-methyl-2-Hydroxy-2-methylpentane1,1-Dimethylbutanol1,1-dimethyl-1-butanol2-Methyl-2-hydroxypentaneUNII-HU2SO831KPHU2SO831KPMethyl-2 pentanol-2Dimethyl propyl carbinol
이름 더 보기
2-메틸-2-펜탄올메틸(2-)-2-펜탄올2-methyl-2-pentano2-methyl-pentan-2-ol2-Pentanol,2-methyl-DIMETHYLPROPYLCARBINOL
NSC 8686NSC-8686EINECS 209-681-0UN25604-METHYL-4-PENTANOLDTXSID40604402-METHYL-2-AMYL ALCOHOL4-HYDROXY-4-METHYLPENTANE
데이터베이스 식별자
- CAS
590-36-3- PubChem CID
- 11543
- DTXSID
DTXSID4060440- ChEMBL
CHEMBL450417- UNII
- HU2SO831KP
- EC Number
- 209-681-0
- Nikkaji
- J59.832A
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 48.1
실험 및 물리화학적 성질
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Vapor Pressure8.6 [mmHg]
Physical Description
2-methylpentan-2-ol appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.
Colorless liquid; [CAMEO]
Liquid
물리화학적 성질
- 녹는점
- -107 °C · -107 °C
- 끓는 점
- 120 · 120-122 °C(lit.)
- 밀도
- 0.835 g/mL · 0.835 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.411(lit.)
- 인화점
- 70 °F · 70 °F
- 저장 조건
- Flammables area
- 용해도
- 32.4 g/L · 32.4g/L
- 산도 계수 (pKa)
- 15.38 · 15.38±0.29(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 냄새
- 1 · 1.00?%?in?디프로필렌 글리콜에서. 매운 냄새
- 폭발한계
- 1.1 · 1.1-7%(V)
- 수용성
- 20 °C에서 · 20°C에서 물에 용해됨 32g/L. 알코올에 용해됩니다.
- BRN
- 1718951 · 1718951
- Henry's Law Constant
- 2.8 · 2.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- 1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
- InChIKey
- WFRBDWRZVBPBDO-UHFFFAOYSA-N
- SMILES
- CCCC(C)(C)O
- LogP
- 1.603 · 1.603 (est)
- EPA
- 2 · 2-Methyl-2-pentanol (590-36-3)
화학적 성질
clear colorless to yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Pentanol, 2-methyl-: HSNO Approval: HSR001259 Approved with controls
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryHighly flammable; [CAMEO] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Methyl-1-pentanol.
DOT ID and Guide2560 129
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity Profile
2-METHYLPENTAN-2-OL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
DOT Hazard Classification
2-Methylpentan-2-ol
UN2560
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 및 보호
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
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 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
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
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2560
- HS 번호
- 29051900
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-24714
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information2-Pentanol, 2-methyl-: ACTIVE
응용 분야
용도It is used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site. It may initiate the polymerization of isocyanates and epoxides.
일반 설명A colorless liquid. Less dense than water. Flash point 99°F. Vapors heavier than air. Used to make other chemicals.
상·하류 제품 정보
상류 원료
공급사45 곳
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