메틸(2-)-3-부텐-2-올
2-Methyl-3-buten-2-ol
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기본 정보
- CAS
115-18-4- 표준 SMILES
C=CC(C)(C)O- InChIKey
HNVRRHSXBLFLIG-UHFFFAOYSA-N- 분자식
- C5H10O
- 평균 분자량
- 86.13 g/mol
- 단동위원소 질량
- 86.07316494
개요
Methyl butenol is a colorless liquid. (USCG, 1999)
이름 및 식별자
- 우선 이름
- 2-Methyl-3-buten-2-ol
- IUPAC
- 2-methylbut-3-en-2-ol
- 현지명
- 메틸(2-)-3-부텐-2-올
- 영어명
- 2-Methyl-3-buten-2-ol
- 분자식
- C5H10O
- 분자량
- 86.13
이름 및 동의어
2-METHYL-3-BUTEN-2-OL115-18-42-Methylbut-3-en-2-ol3-Buten-2-ol, 2-methyl-1,1-Dimethylallyl alcoholDimethylvinylcarbinolDimethylvinylmethanolVinyldimethylcarbinol3-Hydroxy-3-methylbutene1,1-Dimethyl-2-propenol2-Methyl-2-hydroxy-3-butene2-Methyl-3-buten-2-yl alcohol
이름 더 보기
2-메틸-3-부텐-2-올2-메틸-3-뷰텐-2-올메틸(2-)-3-부텐-2-올1,1-다이메틸-2-프로페놀1,1-다이메틸알릴 알코올2-하이드록시-2-메틸-3-뷰텐다이메틸비닐카르비놀메틸부텐올2-METHYL-3-BUTENE-2-OL2-methylbut-3-en3-HYDROXY-3-METHYL-1-BUTENE2-Methyl-3-buten-2-ol, 97% 250ML2-methylbut-Methyl-3-bute
alpha,alpha-Dimethylallyl alcoholDTXSID3047471SH64HE46L9NSC-15977DTXCID1027471RefChem:88074204-068-4Methylbutenol
데이터베이스 식별자
- CAS
115-18-4、60766-00-9- PubChem CID
- 8257
- DTXSID
DTXSID3047471- ChEMBL
CHEMBL4245903- ChEBI
CHEBI:132752- UNII
- SH64HE46L9
- EC Number
- 204-068-4
- Nikkaji
- J65.753K
물성
구조 계산 물성보충 중
- XLogP
- 0.8
- 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
- 55
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Methyl-3-buten-2-ol) -> IFRA transparency List
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
LogP0.66
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.824 (USCG, 1999) - Less dense than water; will float
0.8 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.06
Flavoring AgentsEU Flavoring substances
Solubility
1000 mg/mL
Solubility in water, g/100ml at 20 °C: 19 (good)
Flash Point
56 °F (USCG, 1999)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (22 of 1724) of reports.
Danger
H225 (98.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1724 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 3-Buten-2-ol, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2007/442
REACH registered substance: 2-methylbut-3-en-2-ol (EC: 204-068-4)
2-Methyl-3-buten-2-ol: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire Hazards
Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. (USCG, 1999)
Highly flammable. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive.
Health HazardsHarmful if inhaled or swallowed. Material is irritating to mucous membrane and upper respiratory tract. (USCG, 1999)
Hazards Summary
An eye but not skin irritant in rabbits; Not a skin sensitizer in guinea pig maximization test; [IUCLID] Causes degenerative changes to brain, liver changes, changes in liver and kidney weights, and effects on transaminases in repeated-dose oral studies of rats; [RTECS] A mucous membrane and upper respiratory tract irritant; May cause smarting and reddening of skin if spilled and allowed to remain on clothes; High vapor concentrations may cause mild smarting of eyes and respiratory system; [CHRIS] An eye irritant; [ICSC] May cause mild skin irritation; A strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesNarcotic, sleep-producing principle from hops. [ChemIDplus] Used as a flavoring agent; [FDA]
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Buten-2-ol, 2-methyl-: ACTIVE
응용 분야
용도2-Methyl-3-buten-2-ol was used to study the kinetics of the gas-phase reaction of OH radicals with 3-methyl-2-butenal.
일반 설명Colorless liquid.
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