3404-78-2 (2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯,2,5-Dimethyl-2-hexene)

快速询单

结构式：

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯MOL文件

CAS号：

3404-78-2

中文名称：

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯

英文名称：

2,5-Dimethyl-2-hexene

安全信息：

分子式：

C₈H₁₆

分子量：

112.212642669678

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)名称与标识符

名称

中文别名：

2,5-二甲基-2-己烯;2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯;

英文别名：

2-Hexene, 2,5-dimethyl-;2,5-Dimethyl-2-hexene;2,5-Dimethyl-hex-2-en;2,5-dimethyl-hex-2-ene;2-hexene,2,5-dimethyl;NSC-74164;UNII-9X0D0DC5MZ;AKOS025295184;D2076;NSC 74164;3404-78-2;D89989;2,5-dimethylhex-2-ene;MFCD00026436;NSC74164;9X0D0DC5MZ;DTXSID50871025;Q27273322;VFZIUYUUQFYZBR-UHFFFAOYSA-N;DTXCID20818700;

标识符

MDL：

MFCD00026436

InChIKey：

VFZIUYUUQFYZBR-UHFFFAOYSA-N

Inchi：

1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3

SMILES：

C(C)(C)C/C=C(\C)/C

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)物化性质

实验特性

LogP : 2.99870
PSA : 0.00000
折射率 : 1.4130-1.4160
沸点 : 113°C(lit.)
熔点 : -103.01°C (estimate)
蒸气压 : 23.7±0.1 mmHg at 25°C
闪点 : 11°C(lit.)
颜色与性状 : 未确定
溶解性 : 未确定
密度 : 0,72 g/cm3

计算特性

精确分子量 : 112.12500
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 2
同位素质量 : 112.125201
重原子数量 : 8
复杂度 : 74
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.5
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 0

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)安全信息

符号： GHS02 GHS08
安全说明： S16
风险术语： R10
危险品运输编号： UN 1216
危害声明：H225-H304
警示性声明：P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
提示语：危险
储存条件： 4℃条件下存储,-4℃存储更佳
PackingGroup： II
危险类别码： 10
信号词：危险
HazardClass： 3

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)国际标准相关数据

EINECS：

87568525

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)海关数据

海关编码：

2901299090

海关数据：

中国海关编码：

2901299090

概述：

2901299090 其他不饱和无环烃。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 用作气体燃料的应报明包装容器容积, 散装货物应报明

Summary：

2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)推荐厂家更多厂家(11)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
梯希爱（上海）化成工业发展有限公司	13061970904	张泽原	862682778	询单
天津佰玛科技有限公司	15620955089 022-88195255	李一卓	362698781	询单
天津佰玛科技有限公司	15620955089 022-88195255	李一卓	362698781	询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)相关文献

1. Synthesis of 2,5-dimethylhexene by isobutene dimerization with H2S co-feeding
Ryo Watanabe,Riku Tanikawa,Arisa Kurosaki,Kazumasa Oshima,Masahiro Kishida,Priyanka Verma,Choji Fukuhara RSC Adv. 2023 13 14097
2. Ab initio rate coefficients for reactions of 2,5-dimethylhexyl isomers with O2: temperature- and pressure-dependent branching ratios
Mohamad Akbar Ali Phys. Chem. Chem. Phys. 2021 23 6225
3. Use of the diazoalkane–thione reaction in the synthesis of a vinyltrimethylenemethane precursor
Richard J. Bushby,Stephen Mann J. Chem. Soc. Perkin Trans. 1 1987 2497
4. The reactions of amine, polyamine and amino alcohol corrosion inhibitors in water at high temperature
John R. Lindsay Smith,Alison U. Smart,Martyn V. Twigg J. Chem. Soc. Perkin Trans. 2 1992 939
5. Oxidation by cobalt(III) acetate. Part 11. Oxidation of conjugated dienes by cobalt(III) acetate in acetic acid
Takashi Morimoto,Masao Hirano,Takashi Enokida,Akihito Isomoto,Takayoshi Hamaguchi,Xumin Zhung J. Chem. Soc. Perkin Trans. 2 1988 1531
6. Pd(0) encapsulated nanocatalysts as superior catalytic systems for Pd-catalyzed organic transformations
S. Sadjadi,M. M. Heravi RSC Adv. 2016 6 88588
7. Nitrosonium complexes of organic compounds. Structure and reactivity
Gennady I. Borodkin,Vyacheslav G. Shubin Russ. Chem. Rev. 2001 70 211
8. Evaluation of the freshness of rainbow trout (Oncorhynchus mykiss) fillets by the NIR, E-nose and SPME-GC-MS
Kunli Xu,Yuwen Yi,Jing Deng,Yuanhui Wang,Bo Zhao,Qianran Sun,Chenhui Gong,Zepeng Yang,Hailun Wan,Ruiyan He,Xinyu Wu,Bo Yao,Meichao Zhang,Yong Tang RSC Adv. 2022 12 11591
9. Photochemistry of organic nitrogen compounds. Part II. The photolysis of pyrazolenines via diazo-compounds
A. C. Day,M. C. Whiting J. Chem. Soc. C 1966 1719
10. Reduction by metal–amine solutions: applications in synthesis and determination of structure
A. J. Birch,Herchel Smith Q. Rev. Chem. Soc. 1958 12 17

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2)参考资料

Reaxys RN：

1732130

Beilstein：

1(4)888

PubChem CID：

87568525

2,5-Dimethyl-2-hexene 2,5-二甲基-2-己烯(3404-78-2) MSDS

基础信息

2,5-Dimethyl-2-hexene
SAFETY DATA SHEET

Section 1. IDENTIFICATION
Product name: 2,5-Dimethyl-2-hexene

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 2
  Flammable liquids
  HEALTH HAZARDS
    Category 1
  Aspiration hazard
  ENVIRONMENTAL HAZARDS        Not classified
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger
  Hazard statements        Highly flammable liquid and vapour
    May be fatal if swallowed and enters airways
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Do NOT
    induce vomiting.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
  [Storage]        Store in a well-ventilated place. Keep cool.
    Store locked up.
  [Disposal]        Dispose of contents/container through a waste management company authorized by
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Components:        2,5-Dimethyl-2-hexene
    >95.0%(GC)
  Percent:
  CAS Number:        3404-78-2
  Chemical Formula:        C8H16
  2,5-Dimethyl-2-hexene

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
    induce vomiting.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  media:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.
    Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a cool, dark and well-ventilated place.
  Storage conditions:
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.
  Personal protective equipment
  2,5-Dimethyl-2-hexene

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.
  Eye protection:        Safety goggles. A face-shield, if the situation requires.
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Liquid
  Physical state (20°C):
  Form:        Clear
  Colour:        Colorless - Almost colorless
  Odour:        No data available
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        113°C
  Flash point:        11°C
  Flammability or explosive
  limits:
  Lower:        No data available
  Upper:        No data available
  Relative density:        0.72
  Solubility(ies):
  [Water]        No data available
  [Other solvents]        No data available

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
    Spark, Open flame, Static discharge
  Conditions to avoid:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
  NTP =        No data available
  Reproductive toxicity:        No data available

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
    No data available
  Crustacea:
  Algae:        No data available
  Persistence / degradability: No data available
  Bioaccumulative        No data available
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available
  2,5-Dimethyl-2-hexene

Section 12. ECOLOGICAL INFORMATION
Henry's Law No data available
constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system but exert extra care in igniting as this material is
    highly flammable. Observe all federal, state and local regulations when disposing of the substance

Section 14. TRANSPORT INFORMATION
  Hazards Class:        3: Flammable liquid.
    3295
  UN-No:
  Proper shipping name:        Hydrocarbons, liquid, n.o.s.
  Packing group:        II

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A