2-Methyl-3-butyn-2-ol

HCID 8258CAS 115-19-5

기본 정보

표준 SMILES
C#CC(C)(C)O
InChIKey
CEBKHWWANWSNTI-UHFFFAOYSA-N
분자식
C5H8O
평균 분자량
84.12 g/mol
단동위원소 질량
84.05751488

개요

2-methyl-2-hydroxy-3-butyne is a colorless to straw yellow liquid. (USCG, 1999)

이름 및 식별자

우선 이름
2-Methyl-3-butyn-2-ol
IUPAC
2-methylbut-3-yn-2-ol
현지명
3-메틸-1-부틴-3-올
영어명
3-Methyl butynol
분자식
C5H8O
분자량
84.12

이름 및 동의어

2-METHYL-3-BUTYN-2-OL115-19-52-Methylbut-3-yn-2-ol3-Butyn-2-ol, 2-methyl-2-Methyl-2-butynolEthynyldimethylcarbinolCarbavaneDimethylethynylcarbinolDimethylethynylmethanol2-Hydroxy-2-methyl-3-butyneDimethylacetylenecarbinolDimethylacetylenylcarbinol
이름 더 보기
2-메틸-3-부틴-2-올3-메틸-1-부틴-3-올메틸부티놀,3-하이드록시-3-메틸-1-부탄디메틸에티닐메탄올2-메틸부-3-틴-2-올1,1-다이메틸-2-프로핀-1-올1,1-다이메틸프로파르길 알코올1,1-다이메틸프로피놀2-메틸-3-부티놀-22-하이드록시-2-메틸-3-부틴다이메틸아세틸렌카르비놀다이메틸아세틸에닐카르비놀다이메틸에티닐메탄올다이메틸에티닐카르시놀알파, 알파-다이메틸프로파르길 알코올에티닐다이메틸카르비놀MBYMethyl butynol2-Methyl-3-Butyne-2-OlAB-322-MethylbutynolMethylbutylenol
1,1-Dimethylpropargyl alcoholDTXSID2021949EHB904XHKHNSC-523DTXCID701949RefChem:88076204-070-53-Methyl-1-butyn-3-ol

데이터베이스 식별자

CAS
115-19-5
PubChem CID
8258
DTXSID
DTXSID2021949
ChEMBL
CHEMBL3185871
UNII
EHB904XHKH
EC Number
204-070-5
Nikkaji
J38.146B

물성

구조 계산 물성

XLogP
0.3
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
LogP · 2건

0.318

0.28

Density · 3건

0.8672 (USCG, 1999) - Less dense than water; will float

Density (gas): 0.9 kg/m³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.04

SolubilitySolubility in water: miscible
Flash Point · 2건

77 °F (USCG, 1999)

20 °C c.c.

물리화학적 성질

녹는점
3 °C · 3 °C
끓는 점
104 °C · 104 °C(lit.)
밀도
0.868 g/mL · 0.868 g/mL at 25 °C(lit.)
증기압
15 mm · 15 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.42(lit.)
인화점
77 °F · 77 °F
화학적 성질 · 1건

colourless to light yellow liquid.Methylbutynol (3-Methyl butynol) is a colorless, transparent, and aromatic liquid that can be consumed at room temperature. It is soluble in water and fatty acids and miscible with acetone, benzene, carbon tetrachloride, and petroleum ether but insoluble in ammonia. Methylbutynol and water form an azeotrope with an azeotropic point of 91 °C in the methylbutynol composition of 74% and the water composition of 26%. Methylbutynol is chemically active and has the common reactions of alcohol groups and unsaturated triple bonds, such as addition, polymerization, esterification, and oxidation reactions.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 4.8% (24 of 500) of reports.

Danger

H225 (62.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, 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 500 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 3건

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

Status: Active Update: 18-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12665

3-Butyn-2-ol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 3-Butyn-2-ol, 2-methyl-: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 2건

Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. (USCG, 1999)

Highly flammable. Vapour/air mixtures are explosive. Risk of explosion on contact with copper.

Health HazardsContact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. (USCG, 1999)
Hazards Summary · 1건

An eye but not skin irritant in rabbits; Not a skin sensitizer in guinea pig modified split adjuvant test; Developmental toxicity observed in rats at doses maternally toxic; [IUCLID] Causes somnolence, lung changes, ataxia, respiratory depression, and general anesthesia in inhalation lethal-concentration studies of mice; Oral LD50 (mouse) = 500 mg/kg; [RTECS] A skin and eye 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 tract; [CHRIS] An eye irritant; [ICSC] May cause serious eye injury; Harmful by ingestion; [ECHA REACH Registrations] An irritant; Harmful by ingestion; [Alfa Aesar MSDS]

안전 및 보호

Fire Fighting · 2건

Fire Extinguishing Agents Not to Be Used: Water.

Use carbon dioxide, foam, dry powder. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact of the substance 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.

First AidGet medical attention.
Safe StorageFireproof. Separated from strong oxidants, acids and copper. Cool.
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. 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 EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by ingestion.
Signs and Symptoms · 3건

Cough.

Redness. Pain.

Dizziness.

Toxicity DataLC50 (mouse) = 2,000 mg/m3

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
ES0810000
ridadr
UN 1987 3/PG 2
독성
LD50 orally in Rabbit: 1420 mg/kg LD50 dermal Rat > 2000 mg/kg
HS 번호
29052990

화학 및 산업

용도 및 제조

Uses · 2건

Has been used as a pheromone substitute in beetle control; [REPROTOX] Used as an intermediate, laboratory reagent, and in wood treatment; [ECHA REACH Registrations]

Applying Wood Preservatives [Category: Other]

General Manufacturing Information3-Butyn-2-ol, 2-methyl-: ACTIVE

응용 분야

용도Stabilizer in chlorinated solvents, viscosity reducer and stabilizer, electroplating brightener, intermediate.

일반 설명Colorless to straw yellow liquid.

제조 방법

3-Methyl butynol is produced from Acetone and Acetylene in liquid Ammonia with Sodamide (or in Cellosolve with Potassium hydroxide). The process yields Methylbutynol which can be hydrogenated to Methylbutenol.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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483건

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