2215-21-6 (3,5-二异丙基邻羟基苯甲酸,3,5-Diisopropylsalicylic acid)

CAS号:
2215-21-6
中文名称:
3,5-二异丙基邻羟基苯甲酸
英文名称:
3,5-Diisopropylsalicylic acid
安全信息:
分子式:
C13H18O3
分子量:
222.280224323273

3,5-二异丙基邻羟基苯甲酸(2215-21-6)名称与标识符

名称

中文别名:
3,5-二异丙基邻羟基苯甲酸;3,5-二异丙基水杨酸;2-羟基-3,5-二异丙基苯甲酸;
英文别名:
3,5-Diisopropylsalicylic acid;2-Hydroxy-3,5-diisopropylbenzoic acid;3,5-Diisopropyl-2-hydroxybenzoic acid;2-hydroxy-3,5-di(propan-2-yl)benzoic acid;3,5-Diisopropylsalicylate;3,5-di-isopropylsalicylic acid;AB01326885-02;J-014553;2-Hydroxy-3,5-diisopropylbenzoicacid;NCGC00334155-01;AKOS001434142;NS00027077;InChI=1/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16;2-hydroxy-3,5-diisopropyl benzoic acid;EINECS 218-677-8;2-hydroxy-3,5-bis(propan-2-yl)benzoic acid;Oprea1_682060;FT-0614635;Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-;CCRIS 3303;MFCD00008884;SALICYLIC ACID, 3,5-DIISOPROPYL-;DIISOPROPYLSALICYLIC ACID, 3,5-;D97425;2-Hydroxy-3,5-diisopropylbenzoic acid #;DTXSID1062257;SCHEMBL212716;3,5-Diisopropyl-2-hydroxybenzoic acid, 98%;Z104487922;5-DIISOPROPYLSALICYLIC ACID;2-HYDROXY-3,5-BIS(1-METHYLETHYL)BENZOIC ACID;2215-21-6;BS-23024;EN300-21070;3,5-di-iso-Propyl-2-hydroxybenzoic acid;UNII-XH5ERW6DGJ;CS-0187726;XH5ERW6DGJ;2-Hydroxy-3,5-bis(1-methylethyl)benzoic Acid; 2-Hydroxy-3,5-bis(propan-2-yl)benzoic Acid; 2-Hydroxy-3,5-diisopropylbenzoic Acid; 3,5-Diisopropyl-2-hydroxybenzoic Acid;;DB-045818;STK427549;

标识符

MDL:
MFCD00008884
InChIKey:
XUFUYOGWFZSHGE-UHFFFAOYSA-N
Inchi:
1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)
SMILES:
OC1=C(C(=O)O)C=C(C=C1C(C)C)C(C)C
BRN:
2505176

3,5-二异丙基邻羟基苯甲酸(2215-21-6)物化性质

实验特性

  • LogP : 3.33720
  • PSA : 57.53000
  • 折射率 : 1.4740 (estimate)
  • 沸点 : 303.46°C (rough estimate)
  • 熔点 : 113-115 °C (lit.)
  • 闪点 : 164.3°C
  • 溶解度 : Soluble in organic solvents.
  • 颜色与性状 : 带白色粉末
  • 溶解性 : 未确定
  • 密度 : 1.1205 (rough estimate)

计算特性

  • 精确分子量 : 222.12600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 222.126
  • 重原子数量 : 16
  • 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) : 4.5
  • 互变异构体数量 : 4
  • 表面电荷 : -1
  • 拓扑分子极性表面积 : 60.4

3,5-二异丙基邻羟基苯甲酸(2215-21-6)安全信息

3,5-二异丙基邻羟基苯甲酸(2215-21-6)国际标准相关数据

EINECS:
218-677-8

3,5-二异丙基邻羟基苯甲酸(2215-21-6)海关数据

海关编码:
2918290000
海关数据:

中国海关编码:

2918290000

概述:

2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary:

HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

3,5-二异丙基邻羟基苯甲酸(2215-21-6)上下游

3,5-二异丙基邻羟基苯甲酸(2215-21-6) MSDS

基础信息

Name:3 5-Diisopropylsalicylic Acid 98% Material Safety Data Sheet
Synonym:Benzoic Acid, 2-Hydroxy-3,5-Bis(1-Methylethyl)-
CAS:2215-21-6
Section 1 - Chemical Product ? MSDS Name:3 5-Diisopropylsalicylic Acid 98% Material Safety Data Sheet
Synonym:Benzoic Acid, 2-Hydroxy-3,5-Bis(1-Methylethyl)-

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
2215-21-6Benzoic Acid, 2-Hydroxy-3,5-Bis(1-Meth98218-677-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: 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.
Notes to Physician:

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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
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# 2215-21-6: 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: Powder
Color: beige to gray
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 117.00 - 119.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H18O3
Molecular Weight: 222.28

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong bases, strong 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# 2215-21-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzoic Acid, 2-Hydroxy-3,5-Bis(1-Methylethyl)- - Not listed by ACGIH, IARC, or NTP.

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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 2215-21-6: No information available.
Canada
CAS# 2215-21-6 is listed on Canada's NDSL List.
CAS# 2215-21-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2215-21-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A