2-メチル-3-ブテン-2-オール

2-Methyl-3-buten-2-ol

HCID 8257CAS 115-18-4

基本情報

標準SMILES
C=CC(C)(C)O
InChIKey
HNVRRHSXBLFLIG-UHFFFAOYSA-N
分子式
C5H10O
平均分子量
86.13 g/mol
単同位体質量
86.07316494

概要

Methyl butenol is a colorless liquid. (USCG, 1999)

名称と識別子

優先名称
2-Methyl-3-buten-2-ol
IUPAC
2-methylbut-3-en-2-ol
現地名
2-メチル-3-ブテン-2-オール
英語名
2-Methyl-3-buten-2-ol
分子式
C5H10O
分子量
86.13

名称と別名

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
名称をさらに表示
2-メチル-3-ブテン-2-オール2メチル3ブテン2オル3-ヒドロキシ-3-メチル-1-ブテン3-メチル-1-ブテン-3-オール3-メチル-1-ブテン-3-オ?ル2‐メチル‐3‐ブテン‐2‐オールメチル-3-ブテン-2-オール, 2-2-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

データベース識別子

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

物性

構造計算による物性

XLogP
0.8
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
1
重原子数
6

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Methyl-3-buten-2-ol) -> IFRA transparency List
Pesticides · 2 件

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

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

物理化学的性質

融点
-43 °C · -43 °C
沸点
98 · 98-99 °C (lit.)
比重(密度)
0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
蒸気圧
51 mm · 51 mm Hg ( 25 °C)
屈折率
20 · n20/D 1.416(lit.)
闪点
56 °F · 56 °F

化学的性質

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

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 5 件

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 · 2 件

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 · 1 件

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

安全と保護具

Fire Fighting · 2 件

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 · 4 件

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 · 1 件

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.

毒性情報

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 · 2 件

Cough. Sore throat.

Redness.

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

安全データ

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

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

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
応用分野 · 3 件

用途樹皮カブト虫の誘引剤、薬、ビタミンなどの中間体

使用2-Methyl-3-buten-2-ol was used to study the kinetics of the gas-phase reaction of OH radicals with 3-methyl-2-butenal.

一般的な説明Colorless liquid.

サプライヤー50 社

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]

関連反応

71 件

関連ノート

読み込み中…