120-95-6 (2,4-二叔戊基苯酚,2,4-bis(2-methylbutan-2-yl)phenol)

快速询单

结构式：

2,4-二叔戊基苯酚MOL文件

CAS号：

120-95-6

中文名称：

2,4-二叔戊基苯酚

英文名称：

2,4-bis(2-methylbutan-2-yl)phenol

安全信息：

分子式：

C₁₆H₂₆O

分子量：

234.377045154572

2,4-二叔戊基苯酚(120-95-6)名称与标识符

名称

中文别名：

2,4-二叔戊基苯酚;2,4-Di-tert-amylphenol 2,4-二叔戊基苯酚;2,4-Di-tert-pentylphenol,certified 标准品;2,4-二叔戊基苯;2,4-二叔戊基酚;2,4-二特戊基苯酚;2,4-双(1,1-二甲基丙基)苯酚;2,4-双(1,1-二甲丙基)苯酚;

英文别名：

2,4-Di-tert-pentylphenol;2,4-Di-tert-amylphenol;2,4-Di-tert-pentylphenolneat;2,4-Bis(1,1-dimethylpropyl)phenol;2,4-bis(2-methylbutan-2-yl)phenol;Phenol,2,4-di-tert-pentyl- (6CI,7CI,8CI);2,4-Bis(tert-pentyl)phenol;2,4-Di(1,1-dimethylpropyl)phenol;NSC 158351;DTAP;prodox156;Di-tert-amylphenol;2,4-Di-t-pentyphenol;2,4-DI-T-PENTYLPHENOL;2,4-di-tert-Pentylphenyl;2,4-di-tert-pentyl-pheno;2,4-di-t-amylphenol;Prodox 156;Phenol, 2,4-bis(1,1-dimethylpropyl)-;Phenol, 2,4-di-tert-pentyl-;WMVJWKURWRGJCI-UHFFFAOYSA-N;852F1HP88H;DSSTox_CID_6974;DSSTox_RID_78270;DSSTox_GSID_26974;2,4-di-t-amyl phenol;Phenol,4-di-tert-pentyl-;2,4-DI-T-PENTYLPHENOL [HSDB];FT-0657965;Tox21_202168;UNII-852F1HP88H;NS00015599;D78380;Tox21_300090;MFCD00041929;InChI=1/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3;HSDB 5588;CS-0196566;NCGC00164151-02;WMVJWKURWRGJCI-UHFFFAOYSA-;DTXCID106974;A804626;EINECS 204-439-0;2,4-Di-tert-amylphenol, 99%;CAS-120-95-6;D5320;NSC-158351;2,4-di-(tert-amyl)phenol;Phenol,4-bis(1,1-dimethylpropyl)-;EN300-19233;NCGC00164151-01;2,4-bis-(1,1-Dimethylpropyl)phenol;NCGC00164151-03;NCGC00254009-01;DTXSID9026974;NSC158351;SCHEMBL80891;120-95-6;BRN 2370274;NCGC00259717-01;AKOS009028944;CHEMBL1890694;W-108467;D3294;3-06-00-02085 (Beilstein Handbook Reference);Ditertamylphenol;Phenol, 2,4bis(1,1dimethylpropyl);2,4-di-tert-amyl phenol;2,4Ditertpentylphenol;Phenol, 2,4ditertpentyl;2,4Ditertamylphenol;

标识符

MDL：

MFCD00041929

InChIKey：

WMVJWKURWRGJCI-UHFFFAOYSA-N

Inchi：

1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3

SMILES：

OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC

BRN：

2370274

2,4-二叔戊基苯酚(120-95-6)物化性质

实验特性

LogP : 4.76740
PSA : 20.23000
折射率 : 1.506-1.508
沸点 : 143°C/4mmHg(lit.)
熔点 : 25 °C (lit.)
闪点 : 华氏：235.4 °F
摄氏：113 °C
颜色与性状 : 透明至淡黄色半固体
密度 : 0.930 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 234.19800
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 4
同位素质量 : 234.198365
重原子数量 : 17
复杂度 : 242
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） : 6
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 20.2

2,4-二叔戊基苯酚(120-95-6)安全信息

符号： GHS07 GHS08 GHS09
RTECS号： SL3500000
WGK Germany： 2
安全术语： S26;S37/39
安全说明： S26-S37/39
包装等级： I; II; III
风险术语： R22; R36/38
危险品标志： Xn
危险品运输编号： NONH for all modes of transport
危害声明：H302-H319-H371-H410
警示性声明：P260-P264-P270-P273-P280-P301+P312+P330-P305+P351+P338+P337+P313-P308+P311-P391-P405-P501
提示语：警告
储存条件：储存于紧闭密封的容器中。储存于阴凉、干燥、通风良好的区域，远离不相容的物质。
PackingGroup： III
危险类别码： 22-36
信号词： Warning
HazardClass： 9

2,4-二叔戊基苯酚(120-95-6)国际标准相关数据

EINECS：

5588

2,4-二叔戊基苯酚(120-95-6)海关数据

海关编码：

2907199090

海关数据：

中国海关编码：

2907199090

概述：

2907199090 其他一元酚. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2,4-二叔戊基苯酚(120-95-6)生产方法和用途

用途：

紫外线吸收剂及紫外线吸收剂的原料，生产2-（3，5-二叔戊基-2-羟基苯基）苯并三唑；摄影感光材料的原料；用作偶合剂，生产感光色素。以苯酚为原料，与2-甲基-2-丁烯反应可制得。本品有升华性和可燃性。

2,4-二叔戊基苯酚(120-95-6)推荐厂家更多厂家(64)

公司名称	手机号/电话	联系人	QQ	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
钜澜化工科技（青岛）有限公司	13156898909	王经理	421623362	询单
湖北摆渡化学有限公司	13517219350 13517219350	彭星	1400878899	询单
苏州市森菲达化工有限公司	13862111431 0512-66387035	王婷婷		询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301	询单
山东玖玥生物科技有限公司	15553333686	张文杰	643971	询单
湖北广奥生物科技有限公司	13657291602 13657291602	郭银	1098480033	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单
湖北永阔科技有限公司	18771920143 027-59223108	郭经理	1248580055	询单
湖北成海化工有限公司	13986212397 027-59220433	张思胧	1400858822	询单

2,4-二叔戊基苯酚(120-95-6)合成路线

合成路线：1 步

反应条件：

1.1 Catalysts: Tungstic acid (H2WO4) ; rt → 300 °C; 6 h, 300 °C

参考文献：

Highly selective conversion of guaiacol to tert-butylphenols in supercritical ethanol over a H2WO4 catalyst

Mai, Fuhang; et al, RSC Advances, 2019, 9(5), 2764-2771

2,4-二叔戊基苯酚(120-95-6)相关文献

1. Synthesis and characterization of new divalent lanthanide complexes supported by amine bis(phenolate) ligands and their applications in the ring opening polymerization of cyclic esters
Divine T. Dugah,Brian W. Skelton,Ewan E. Delbridge Dalton Trans. 2009 1436
2. Ring-opening polymerization of cyclic esters with lithium amine-bis(phenolate) complexes
Rebecca K. Dean,Amy M. Reckling,Hua Chen,Louise N. Dawe,Celine M. Schneider,Christopher M. Kozak Dalton Trans. 2013 42 3504
3. Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions
T. S?hner,F. Braun,L. C. Over,S. Mehlhose,F. Rominger,B. F. Straub Green Chem. 2014 16 4696
4. In silico screening for unmonitored, potentially problematic high production volume (HPV) chemicals prone to sequestration in biosolids
Randhir P. Deo,Rolf U. Halden J. Environ. Monit. 2010 12 1840

2,4-二叔戊基苯酚(120-95-6)参考资料

Reaxys RN：

2370274

Beilstein：

6(3)2085

PubChem CID：

8455

2,4-二叔戊基苯酚(120-95-6) MSDS

基础信息

Name:	2 4-Di-Tert-Pentylphenol 96% (GC) Material Safety Data Sheet
Synonym:	Di-Tert-Amylphenol; 2,4-Di-Tert-Amylphenol
CAS:	120-95-6

Section 1 - Chemical Product ? MSDS Name:2 4-Di-Tert-Pentylphenol 96% (GC) Material Safety Data Sheet
Synonym:Di-Tert-Amylphenol; 2,4-Di-Tert-Amylphenol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
120-95-6	Phenol, 2,4-Bis(1,1-Dimethylpropyl)-	96	204-439-0

Hazard Symbols: XN
Risk Phrases: 22 36/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Water may be ineffective. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 120-95-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: yellow
Odor: phenol-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 25 deg C
Autoignition Temperature: Not available.
Flash Point: 143 deg C ( 289.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9300g/cm3
Molecular Formula: C16H26O
Molecular Weight: 234.38

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 120-95-6: SL3500000 LD50/LC50:
CAS# 120-95-6: Draize test, rabbit, eye: 100 mg Moderate; Oral, rat: LD50 = 330 mg/kg.
Carcinogenicity:
Phenol, 2,4-Bis(1,1-Dimethylpropyl)- - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 120-95-6: No information available.
Canada
CAS# 120-95-6 is listed on Canada's DSL List.
CAS# 120-95-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 120-95-6 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A