2-甲基-2-丁烯

2-Methyl-2-butene

HCID 10553CAS 513-35-9

基本信息

标准SMILES
CC=C(C)C
InChIKey
BKOOMYPCSUNDGP-UHFFFAOYSA-N
分子式
C5H10
平均分子量
70.13 g/mol
单同位素质量
70.07825032

概述

2-methyl-2-butene appears as a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.

名称与标识

首选名称
2-Methyl-2-butene
IUPAC
2-methylbut-2-ene
中文名
2-甲基-2-丁烯
英文名
2-Methyl-2-butene
分子式
C5H10
分子量
70.13

名称与别名

2-Methyl-2-butene2-Methylbut-2-ene513-35-9AMYLENETrimethylethylene2-Butene, 2-methyl-n-Amylenebeta-Isoamylene3-Methyl-2-butene2-Methylbutene-21,1,2-TrimethylethyleneEthylene, trimethyl-
展开更多名称
Β-异戊Β-異戊烯三甲基乙烯Β-异戊烯Α-異戊烯甲基丁烯类3-甲-2-丁烯beta-异戊烯2-甲基-2-烯2-甲基-2-丁烯PENTENEISOAMYLENEMethyl butene2-methyl-2-buten2-Mdethyl-2-butene
.beta.-IsoamyleneMFCD00009276NSC 74118HR68LQ4T3X(CH3)2C=CHCH3NSC-741182-Methyl-2-butene, Technical Grade 90%28265-98-7

数据库标识

CAS
513-35-9
PubChem CID
10553
DTXSID
DTXSID8027165
ChEBI
CHEBI:28798
UNII
HR68LQ4T3X
EC Number
208-156-3
Nikkaji
J6.280D

性质

结构计算性质

XLogP
2.3
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
0
重原子
5

实验与物化性质

Chemical Classes · 2 条

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 4th degree

SpringerMaterials PropertiesBoiling point
LogP2.67
OdorDisagreeable odor
Density · 2 条

0.66 @ 15 °C/4 °C

0.6623 @ 20°C

Viscosity3.1641X10-3 Pa/s @ 139.39 K

物理化学性质

熔点
-134 °C · -134 °C (lit.)
沸点
35 · 35-38 °C (lit.)
密度
0.662 g/mL · 0.662 g/mL at 25 °C (lit.)
蒸气密度
2.4 · 2.4 (vs air)
蒸气压
25.7 psi · 25.7 psi ( 55 °C)
折射率
20 · n20/D 1.385(lit.)

化学性质

无色挥发性液体。熔点-133.77℃,沸点38.4℃,相对密度(20/4℃)0.6623,折光率1.3874,闪点-45℃。溶于醇、醚、苯,不溶于水。久置聚合,有不愉快气味。

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 4.1% (14 of 341) of reports.

Danger

H224 (21.4%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P330, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 341 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危害信息

Regulatory Information · 5 条

Chemical: 2-Butene, 2-methyl-

2-Butene, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butene, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 31-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/13878

2-Butene, 2-methyl-: HSNO Approval: HSR001257 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

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

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Fire PotentialHIGHLY FLAMMABLE
Health Hazards · 3 条

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

安全与防护

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Accidental Release Measures · 4 条

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 条

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

General First Aid:

General First Aid:

Exposure Control and Personal Protection · 2 条

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods · 2 条

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Incineration: Spray into a furnace. Incineration will become easier by mixing with a more flammable solvent.

毒理信息

TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Health EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
Environmental Fate · 3 条

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from a structure estimation method(2), indicates that amylene is expected to have high mobility in soil(SRC). Volatilization of amylene from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 0.110 atm-cu m/mole(3). The potential for volatilization of amylene from dry soil surfaces may exist based upon a vapor pressure of 468 mm Hg(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from a structure estimation method(2), indicates that amylene is not expected to adsorb to suspended solids and sediment in water(SRC). Based on exposure of activated sludge to amylene in the Warburg respirometer test at 20 °C, percent theoretical oxygen demand after 24 hrs was 0.9(3). Volatilization from water surfaces is expected(4) based upon a Henry's Law constant of 0.110 atm-cu m/mole(5). Volatilization half-lives for a model river and model lake are 2.5 and 80 hrs, respectively(SRC), using an estimation method(4). According to a classification scheme(6), an estimated BCF of 23(4,SRC), from a log Kow(7,SRC), suggests the potential for bioconcentration in aquatic organisms is low.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), amylene, which has a vapor pressure of 468 mm Hg at 25 °C(2), is expected to exist solely in the vapor phase in the ambient atmosphere. Vapor-phase amylene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 4.4 hrs(SRC), calculated from its rate constant of 8.69X10-11 cu cm/molecule-sec at 25 °C(3). The rate constant for the vapor-phase reaction of amylene with ozone is 4.2X10-16 cu cm/molec sec(4); the half-life for this reaction in air is estimated to be 39 minutes at an atmospheric concn of 7X10+11 molec/cu cm for ozone(5). The rate constant for the vapor-phase reaction of amylene with the nitrate radical is 9.0X10-12 cu cm/molec sec(4); the half-life for this reaction in air is estimated to be 321 seconds at an ambient concn of 2.4X10+8 molec/cu cm at night(5).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesOral (L400) ; inhalation (L400) ; dermal (L400)
Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)

安全数据

wgk
3
tsca
TSCA listed
包装类别
II
危险等级
3
存储类别
3 - Flammable liquids
安全说明
45-9-61-33-16-36/37/39-26-62-36/37

化学与工业

药理信息

Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)

用途与制造

Uses · 6 条

Used as a chemical intermediate for isoprene and tertiary pentyl alcohol (pharmaceutical solvent); as an additive in high octane fuel manufacture; for hydrogenation, halogenation, alkylation, and condensation reactions; [HSDB] Used as an intermediate in the production of hydrocarbon resins, as a stabilizer for chloroform, and as a component of natural gas and crude oil; [eChemPortal: SIDSUNEP] Was used as an anesthetic in humans; [ACGIH]

Petroleum Production and Refining [Category: Industry]

PRINCIPALLY CHEM INT FOR ISOPRENE; ADDITIVE IN HIGH OCTANE FUEL MFR; CHEM INT FOR THE PHARMACEUTICAL SOLVENT, TERTIARY PENTYL ALCOHOL

Organic synthesis; hydrogenation, halogenation, alkylation, condensation reactions

Octane additive

Pentenes are components of gasoline and are often produced as by-products of catalytic of thermal cracking of petroleum. (L1287)

U.S. Production · 4 条

2023: 25,000,000 - <40,000,000 lb

(1972) 1.45X10+11 GRAMS (PENTENES, MIXED)

(1975) 1.27X10+11 GRAMS (AMYLENES & PENTENES)

(1984) 697,131,000 lbs /Pentenes mixed/

Consumer UsesIntermediate
Industry UsesOther
Methods of Manufacturing · 3 条

DISTILLATION OF A CATALYTICALLY CRACKED GASOLINE STREAM, FOLLOWED BY EXTRACTION WITH AQUEOUS SULFURIC ACID AT LOW TEMP

Prepd by dehydration of tert-amyl alcohol in presence of p-toluenesulfonic acid

... A component of refinery gas.

Formulations/PreparationsGrades: 90%, 95% (Technical), 99% (Pure), & Research.

应用领域

简介2-甲基-2-丁烯是一种高度易燃、挥发性的无色液体,难溶于水,可用于脱氢制异戊二烯,也作为合成橡胶、树脂和有机合成的中间体。

用途2-甲基-2-丁烯可用于脱氢制异戊二烯,也作为合成橡胶、树脂和有机合成的中间体。提高汽油辛烷值的掺合剂。气相色谱对比样品。

制备方法

生产方法在炼油厂催化裂化汽油的碳五馏分中异戊烯(包括三种异构体)约占34%,在石油化工厂裂解制乙烯的副产碳五馏分中,异戊烯约占9%。在用溶剂法从碳五馏分中抽提异戊二烯时,可以分离制得异戊烯。

试剂价格

P0067 · 25ML
2-甲基-2-丁烯2-Methyl-2-butene — 360元
P0067 · 100mL
2-甲基-2-丁烯2-Methyl-2-butene — 790元

相关反应

970 条

关联笔记

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