611-72-3 (苦杏仁酸,Mandelic acid)

苦杏仁酸(611-72-3)名称与标识符

名称

中文别名:
苦杏仁酸;扁桃酸;苯羟乙酸;alpha-羟基苯乙酸;α-羟基苯乙酸;DL-扁桃酸;2-羟基-2-苯基乙酸;扁桃酸 DL;()-扁桃酸;苯乙醇酸;苦杏仁酸,DL-扁桃酸;杏仁酸;
英文别名:
2-Hydroxy-2-phenylacetic acid;(+/-)-alpha-Hydroxyphenylacetic acid;dl-mandelic acid free acid;(+/-)-Mandelic acid;mandelic acid;Benzeneaceticacid,alpha-hydroxy-,(+-)-;DL-MANDELICACID,REAGENT;DL-mandelic acid(mandelic acid);(R)(S)-MANDELICACID;(±)-DL-Mandelic acid;DL-Mandelic acid DL;DL-Mandelic acid;CYCLANDELATE,PEMOLINE;DL-2-hydroxy-2-phenylacetic acid;Phenylglycolic acid;Amygdalic acid;Almond acid;Uromaline;p-Mandelic acid;Racemic mandelic acid;Paramandelic acid;(RS)-Mandelic acid;Hydroxy(phenyl)acetic acid;2-Phenylglycolic acid;Phenylhydroxyacetic acid;Glycolic acid, phenyl-;Acido mandelico;(+-)-Mandelic acid;Kyselina mandlova;2-Phenyl-2-hydroxyacetic acid;alpha-Hydroxy-alpha-toluic acid;2-Hydroy-2-phenylacetic acid;Mandelic acid [USP];DL-Hydroxy(phenyl)acetic acid;

标识符

MDL:
MFCD00064250
InChIKey:
IWYDHOAUDWTVEP-UHFFFAOYSA-N
Inchi:
1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
SMILES:
OC(C1C=CC=CC=1)C(=O)O

苦杏仁酸(611-72-3)物化性质

实验特性

  • LogP : 0.80460
  • PSA : 57.53000
  • 折射率 : 1.4945 (estimate)
  • 沸点 : 234.6°C (rough estimate)
  • 熔点 : 120-122 ºC
  • 酸度系数(pKa) : 3.85(at 25℃)
  • 密度 : 1.2890

计算特性

  • 精确分子量 : 152.04700
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 重原子数量 : 11
  • 复杂度 : 138
  • 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 : 1
  • 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) : 0.6
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 57.5

苦杏仁酸(611-72-3)安全信息

苦杏仁酸(611-72-3)海关数据

海关编码:
2918199090
海关数据:

中国海关编码:

2918199090

概述:

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 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

Summary:

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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苦杏仁酸(611-72-3)相关文献

苦杏仁酸(611-72-3) MSDS

基础信息

Name:Dl-mandelic acid 98+% Material Safety Data Sheet
Synonym:alpha-Hydroxyphenylacetic aci
CAS:611-72-3
Section 1 - Chemical Product ? MSDS Name:Dl-mandelic acid 98+% Material Safety Data Sheet
Synonym:alpha-Hydroxyphenylacetic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
611-72-3Dl-mandelic acid98.0210-277-1
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.Light sensitive.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found. Continued absorption may cause kidney irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Inhalation of dust may cause respiratory tract irritation.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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 generating dusty conditions.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Do not store in direct sunlight. 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:
Use adequate ventilation to keep airborne concentrations low.
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:
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Appearance: white
Odor: A faint odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 117 - 119 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C8H8O3
Molecular Weight: 152.15

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stability unknown. Darkens and decomposes on exposure to light.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 611-72-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Dl-mandelic acid - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
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
Shipping Name: Not regulated.
Dangerous Goods Code:
UN Number:

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.
WGK (Water Danger/Protection)
CAS# 611-72-3: No information available.
United Kingdom Occupational Exposure Limits
Canada
CAS# 611-72-3 is listed on Canada's DSL List.
CAS# 611-72-3 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 611-72-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A