5438-68-6 (乙酰氧基扁桃酸,O-Acetyl Mandelic Acid)

CAS号:
5438-68-6
中文名称:
乙酰氧基扁桃酸
英文名称:
O-Acetyl Mandelic Acid
分子式:
C10H10O4
分子量:
194.184003353119

乙酰氧基扁桃酸(5438-68-6)名称与标识符

名称

中文别名:
乙酰氧基扁桃酸;2-乙酰氧基-2-苯基乙酸;Α-乙酰氧基苯乙酸;
英文别名:
2-(2-Acetylphenyl)-2-hydroxyacetic acid;O-Acetylmandelic acid;2-ACETYLMANDELIC ACID;2-acetyloxy-2-phenylacetic acid;2-Acetyloxy-2-phenyl-acetic acid;acetoxy(phenyl)acetic acid;Mandelicacid, acetate (6CI,7CI,8CI);(?à)-O-Acetylmandelic acid;2-Acetoxy-2-phenylacetic acid;Acetoxyphenylaceticacid;DL-O-Acetylmandelic acid;NSC 14369;Phenyl-a-acetoxyacetic acid;a-(Acetyloxy)benzeneacetic acid;a-Acetoxyphenylacetic acid;:O-Acetyl Mandelic acid;DTXSID50279865;InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13);(acetyloxy)(phenyl)acetic acid;(S)-(+)-O-Acetylmandelicacid;AKOS005203417;DL-O-Acetyl Mandelic Acid;FT-0600710;FT-0639959;SR-01000633241-1;MFCD00004249;(S)-(+)-alpha-Acetoxyphenylacetic acid;NS00001301;2-(acetyloxy)-2-phenylacetic acid, AldrichCPR;SCHEMBL493954;(R)-(-)-alpha-Acetoxyphenylacetic acid;HMS559N19;2-acetoxy-2-phenylacetic acid;O-Acetyl mandelic acid;AC-003;CCG-43312;OBCUSTCTKLTMBX-UHFFFAOYSA-;SY008267;FT-0656365;Maybridge1_006465;NSC14369;A845266;A830149;O-acetyl-mandelic acid;acetyl 2-hydroxy-2-phenylacetate;O-acetyl mandelic acid;5438-68-6;SY008268;AS-14726;MFCD00662355;NSC-14369;DB-080961;DB-018091;G78231;

标识符

MDL:
MFCD20641945
InChIKey:
OBCUSTCTKLTMBX-UHFFFAOYSA-N
Inchi:
1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)
SMILES:
O(C(C)=O)C(C(=O)O)C1C=CC=CC=1

乙酰氧基扁桃酸(5438-68-6)物化性质

实验特性

  • LogP : 1.37540
  • PSA : 63.60000
  • 折射率 : 1.5430 (estimate)
  • 沸点 : 290.62°C (rough estimate)
  • 熔点 : Not available
  • 蒸气压 : 0.0±0.7 mmHg at 25°C
  • 闪点 : 125°C
  • 密度 : 1.2534 (rough estimate)

计算特性

  • 精确分子量 : 194.05800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 194.058
  • 重原子数量 : 14
  • 复杂度 : 218
  • 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) : 1.4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 63.6A^2

乙酰氧基扁桃酸(5438-68-6)国际标准相关数据

EINECS:

乙酰氧基扁桃酸(5438-68-6)海关数据

海关编码:
2918990090
海关数据:

中国海关编码:

2918990090

概述:

2918990090. 其他含其他附加含氧基羧酸(包括酸酐、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:13.0%. 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:

2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

乙酰氧基扁桃酸(5438-68-6)推荐厂家 更多厂家(24)

公司名称手机号/电话联系人QQ微信询单
苏州源清化学有限公司 15821204187张青波 3598116860
询单
苏州市森菲达化工有限公司 13862111431
0512-66387035
王婷婷询单
西安德而塔生物科技有限公司 18133906270
18133906270
张女士 2590956145
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江苏雷恩环保科技有限公司 18662920632
0513-66017275
费小姐 3485543679 询单
南通润丰石油化工有限公司 19952847550
0513-66017696
曹海燕 2143087160 询单
江苏润丰合成科技有限公司 18662931390
0513-66017679
蔡经理 507167383 询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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武汉鑫伟烨化工有限公司 18502781673
027-18502781673
张经理 359501377
询单

乙酰氧基扁桃酸(5438-68-6)相关文献

乙酰氧基扁桃酸(5438-68-6)参考资料

Reaxys RN:
PubChem CID:

乙酰氧基扁桃酸(5438-68-6) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      O-Acetyl mandelic acid    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        O-Acetyl mandelic acid    
    CAS number:        5438-68-6    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C10H10O4    
    Molecular weight:        194.2    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A