66165-37-5 (3,5-二叔丁基-4-羟基苄基膦酸乙酯,Ethyl hydrogen ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate)

快速询单

结构式：

3,5-二叔丁基-4-羟基苄基膦酸乙酯MOL文件

CAS号：

66165-37-5

中文名称：

3,5-二叔丁基-4-羟基苄基膦酸乙酯

英文名称：

Ethyl hydrogen ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate

分子式：

C₁₇H₂₉O₄P

分子量：

328.383526563644

3,5-二叔丁基-4-羟基苄基膦酸乙酯(66165-37-5)名称与标识符

名称

中文别名：

3,5-二叔丁基-4-羟基苯甲基磷酸单乙酯;3,5-二叔丁基-4-羟基苯甲基膦酸单乙酯;3,5-二叔丁基-4-羟基苯甲酸单乙酯;Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate 3,5-二叔丁基-4-羟基苯甲基磷酸单乙酯;3,5-二叔丁基-4-羟基苄基膦酸乙酯;

英文别名：

Phosphonicacid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester;MONOEHTYL 3,5-DI-TERT-BUTYL-4HYDROXYBENZYLPHOSPHONATE;Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate;3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC ACID MONOETHYL ESTER;3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate;ETHYL HYDROGEN 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE;53BC4EK4MN;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinic acid;Ethyl hydrogen ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate;Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1);Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-;(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonic acid monoethyl ester;D2966;monoethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphonate;MFCD06797098;EINECS 266-207-5;monoethyl 4-oxy-3,5-di-t-butylbenzylphosphonate;CS-0361623;Ethyl hydrogen (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate;DTXSID4044296;Phosphonicacid,p-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-,monoethyl ester;PHOSPHONIC ACID, ((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, MONOETHYL ESTER;SCHEMBL45804;(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)METHYL(ETHOXY)PHOSPHINIC ACID;WBSRIXCTCFFHEF-UHFFFAOYSA-N;T71191;NS00088150;EthylHydrogen3,5-Di-tert-butyl-4-hydroxybenzylphosphonate;66165-37-5;Q27261094;UNII-53BC4EK4MN;PHOSPHONIC ACID, P-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, MONOETHYL ESTER;

标识符

MDL：

MFCD06797098

InChIKey：

WBSRIXCTCFFHEF-UHFFFAOYSA-N

Inchi：

1S/C17H29O4P/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3,(H,19,20)

SMILES：

P(CC1C=C(C(=C(C=1)C(C)(C)C)O)C(C)(C)C)(=O)(O)OCC

3,5-二叔丁基-4-羟基苄基膦酸乙酯(66165-37-5)物化性质

实验特性

LogP : 4.70910
PSA : 76.57000
颜色与性状 : 白色晶状体粉末。
溶解性 : 溶于甲醇。

计算特性

精确分子量 : 328.18000
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 6
同位素质量 : 328.18034640g/mol
重原子数量 : 22
复杂度 : 384
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） : 3.8
表面电荷 : 0
拓扑分子极性表面积 : 66.8

3,5-二叔丁基-4-羟基苄基膦酸乙酯(66165-37-5)国际标准相关数据

EINECS：

266-207-5

3,5-二叔丁基-4-羟基苄基膦酸乙酯(66165-37-5)推荐厂家更多厂家(8)

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
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北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	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
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	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

3,5-二叔丁基-4-羟基苄基膦酸乙酯(66165-37-5)参考资料

Reaxys RN：

13481437

Beilstein：

M157934

PubChem CID：

87569320

3,5-二叔丁基-4-羟基苄基膦酸乙酯(66165-37-5) MSDS

基础信息

  Monoethyl 3,5-Di-tert-butyl-4-
  hydroxybenzylphosphonate
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
Product name: Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None
  Signal word        No signal word
  Hazard statements        None
  Precautionary statements:        None

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
  Components:        Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate
    >96.0%(LC)(T)
  Percent:
  CAS Number:        66165-37-5
    3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester , Ethyl Hydrogen
  Synonyms:
    3,5-Di-tert-butyl-4-hydroxybenzylphosphonate
  Chemical Formula:        C17H29O4P

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Get medical advice/attention if you feel unwell.
    Remove/Take off immediately all contaminated clothing. Rinse skin with
  Skin contact:
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.
  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, water spray, carbon dioxide.
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  from the chemical:
  Monoethyl 3,5-Di-tert-butyl-4-
  hydroxybenzylphosphonate

Section 5. FIRE-FIGHTING MEASURES
  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: Remove movable
    containers 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 personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.
  Eye protection:        Safety glasses. A face-shield, if the situation requires.
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid
  Form:        Crystal- Powder
    White - Almost white
  Colour:
  Odour:        No data available
  pH: No data available
  Melting point/freezing point:No data available
    No data available
  Boiling point/range:
  Flash point:        No data available
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available
    No data available
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]
    Methanol
  Soluble:
  Monoethyl 3,5-Di-tert-butyl-4-
  hydroxybenzylphosphonate

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Phosphorus oxides
  products:

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

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
  Crustacea:        No data available
  Algae:        No data available
  Persistence / degradability: No data available
  Bioaccumulative        No data available
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available
  Soil adsorption (Koc):        No data available
  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 dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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.
  Monoethyl 3,5-Di-tert-butyl-4-
  hydroxybenzylphosphonate

SECTION 16 - ADDITIONAL INFORMATION
N/A