기본 정보
- 표준 SMILES
CC(C)C(C)O- InChIKey
MXLMTQWGSQIYOW-UHFFFAOYSA-N- 분자식
- C5H12O
- 평균 분자량
- 88.15 g/mol
- 단동위원소 질량
- 88.088815
이름 및 식별자
- 우선 이름
- 3-Methyl-2-butanol
- IUPAC
- 3-methylbutan-2-ol
- 영어명
- 3-Methyl-2-butanol
- 분자식
- C5H12O
- 분자량
- 88.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1517-66-4、598-75-4- PubChem CID
- 11732
- DTXSID
DTXSID20862268- ChEMBL
CHEMBL443470- ChEBI
CHEBI:77517- UNII
- 93FF0F303R
- EC Number
- 209-950-2
- Nikkaji
- J43.343H
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 32
실험 및 물리화학적 성질
Solubility
56 mg/mL at 25 °C
(in ethanol)
Boiling Point
112.00 to 114.00 °C. @ 760.00 mm Hg
112 °C
Kovats Retention Index
663;668;683;683;668;683;683;690;699;668;683;683;690;699;670;672;666;671;666;666
692.1;652;656;700
1094;1124;1118;1079;1094;1100;1108;1094;1100;1108;1090;1089;1091;1083;1089;1100
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (12.8%): Flammable liquid and vapor [Warning Flammable liquids];H332 (99.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (99.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1475 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: 2-Butanol, 3-methyl-
2-Butanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Overexposure may cause skin, eye, nose, and throat irritation, headache, dizziness, dyspnea, nausea, and vomiting; [Merck Index] Safe when used as a flavoring agent in food; [JECFA] A respiratory tract irritant; Harmful by inhalation; May defat the skin; [Alfa Aesar MSDS] See 2-Methyl-1-butanol and 2-Methyl-2-butanol.
안전 및 보호
독성 정보
규제 정보
Regulatory Information
Chemical: 2-Butanol, 3-methyl-
2-Butanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
약리 정보
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
공급사50 곳
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