메틸(2-)-3-부텐-2-올

2-Methyl-3-buten-2-ol

HCID 8257CAS 115-18-4

기본 정보

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 alcohol3-Hydroxy-3-methylbuteneDimethylvinylcarbinolDimethylvinylmethanolVinyldimethylcarbinol1,1-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 물성

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

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 · 2건

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

LogP0.66
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

물리화학적 성질

녹는점
-43 °C · -43 °C
끓는 점
98 · 98-99 °C (lit.)
밀도
0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
증기압
51 mm · 51 mm Hg ( 25 °C)
굴절률
20 · n20/D 1.416(lit.)
인화점
56 °F · 56 °F

화학적 성질

Clear colourless to very slightly yellow liquid.Powerful, oily-herbaceous, somewhat earthy, fungus-like odor of considerable radiance. Poor tenacity.

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 5건

Chemical: 3-Buten-2-ol, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2007/442

Status: Active Update: 25-06-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11701

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 · 2건

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 · 1건

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]

Reactive GroupAlcohols and Polyols

안전 및 보호

Fire Fighting · 2건

Fire Extinguishing Agents Not to Be Used: Water may be ineffective.

Use carbon dioxide, dry powder. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest.

Rinse skin with plenty of water or shower.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Give one or two glasses of water to drink. Seek medical attention if you feel unwell.

First AidINHALATION: Call for medical aid. Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Safe StorageFireproof. Separated from oxidants. Well closed. Ventilation along the floor. Store in an area without drain or sewer access.
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Spillage Disposal · 1건

Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesThe substance can be absorbed into the body by ingestion.
Signs and Symptoms · 2건

Cough. Sore throat.

Redness.

Toxicity DataLC50 (rat) > 21,200 mg/m3/4hr

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
EM9472000
ridadr
UN 1987 3/PG 2
독성
LD50 orally in Rabbit: 1800 mg/kg
HS 번호
29052990

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

관련 반응

71건

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