101-94-0 (苯乙酸对甲酚酯,p-Tolyl phenylacetate)

快速询单

结构式：

苯乙酸对甲酚酯MOL文件

CAS号：

101-94-0

中文名称：

苯乙酸对甲酚酯

英文名称：

p-Tolyl phenylacetate

分子式：

C₁₅H₁₄O₂

分子量：

226.270464420319

苯乙酸对甲酚酯(101-94-0)名称与标识符

名称

中文别名：

苯乙酸对甲酚酯;4-甲苯基苯乙酸酯;苯乙酸对甲苯酯;***对甲酚酯;2-(2,6-二氯苄氧基)-2-(2,4-二氯苯基)乙胺;p-Tolyl Phenylacetate 苯乙酸对甲苯酯;苯乙酸-4-甲苯基酯;

英文别名：

P-cresyl phenylacetate;p-tolyl phenylacetate;Phenylacetic acid p-cresyl ester;(4-methylphenyl) 2-phenylacetate;4-CRESYL PHENYLACETATE;4-methylphenyl 2-phenylacetate;Acetic acid,phenyl-,p-tolyl ester;BENZENEACETIC ACID,4-METHYLPHENYL ESTER;Cresyl phenylacetate,p;p-cresyl 2-phenylacetate;phenyl-acetic acid p-tolyl ester;Phenylacetic Acid p-Tolyl Ester;Phenyl-essigsaeure-p-tolylester;p-tolyl;FEMA 3077;P-TOLYL A-TOLUATE;P-CRESYL A-TOLUATE;p-Cresyl-α-toluate;CresylPhenylAcetate;4-TOLYLPHENYLACETATE;p-Tolyl alpha-toluate;Phenylacetic acid, p-tolyl ester;BENZENEACETIC ACID, 4-METHYLPHENYL ESTER;Acetic acid, phenyl-, p-tolyl ester;p-tolyl 2-phenylacetate;4-Methylphenyl benzeneacetate;Tolyl alpha-toluate, p-;Cresyl alpha-toluate, p-;Methylphenyl phenylacetate, p-;FEMA No. 3077;Methylphenyl alpha-toluate, p-;p-Tolyl .alp;

标识符

MDL：

MFCD00025983

InChIKey：

OJEQSSJFSNLMLB-UHFFFAOYSA-N

Inchi：

1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

SMILES：

CC1C=CC(OC(CC2C=CC=CC=2)=O)=CC=1

苯乙酸对甲酚酯(101-94-0)物化性质

实验特性

LogP : 3.14310
PSA : 26.30000
Merck : 2585
折射率 : 1.569
沸点 : 148°C/1.5mmHg(lit.)
熔点 : 75.0 to 77.0 deg-C
闪点 : 122.3 ºC
FEMA : 3077
颜色与性状 : 白色晶体，呈风信子和水仙似香气，有蜂蜜似香味。
溶解性 : 不溶于水和甘油，略溶于丙二醇，溶于乙醇。
密度 : 1.108

计算特性

精确分子量 : 226.09900
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 4
同位素质量 : 226.09938
重原子数量 : 17
复杂度 : 235
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） : 3.6
表面电荷 : 0
拓扑分子极性表面积 : 26.3

苯乙酸对甲酚酯(101-94-0)安全信息

RTECS号： CY1679750
WGK Germany： 2
毒性： LD50 (g/kg): >5 orally in rats; >5 dermally in rabbits (Food Cosmet. Toxicol.)

苯乙酸对甲酚酯(101-94-0)国际标准相关数据

EINECS：

5981

苯乙酸对甲酚酯(101-94-0)海关数据

海关编码：

2916399090

海关数据：

中国海关编码：

2916399090

概述：

2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装

Summary：

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

苯乙酸对甲酚酯(101-94-0)生产方法和用途

方法：

由对甲酚和苯乙酸酯化而成。

用途：

用作调香剂

可用于水仙、大花茉莉、依兰、铃兰、风信子、晚香玉、栀子等花香型香精。也可用于配制人造麝香香精。在香精中用量一般在1%以下，偶尔也可微量用于蜜香、奶油、坚果、焦糖等香型的食用香精中。

GB 2760一96规定为允许使用的食用香料。主要用于配制果仁、蜂蜜、焦糖和奶油香精。

用于水仙、风信子等花香型日用香精和蜜香、奶油、焦糖等食用香精，也用于配制人造麝香。

苯乙酸对甲酚酯(101-94-0)推荐厂家更多厂家(25)

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
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
湖北鸿鑫瑞宇精细化工有限公司	17771822910 027-65385071	陈欣	2056564811	询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
湖北瑞科化工有限公司	13545904560	石经理	1689694891	询单

苯乙酸对甲酚酯(101-94-0)参考资料

Reaxys RN：

1965995

Beilstein：

P160783

PubChem CID：

87565928

苯乙酸对甲酚酯(101-94-0) MSDS

基础信息

p-Tolyl Phenylacetate Revision number: 1
SAFETY DATA SHEET

Section 1. BASE INFORMATION
Product name: p-Tolyl Phenylacetate

Revision number: 1

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified
  HEALTH HAZARDS        Not classified
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
    None
  Pictograms or hazard symbols
  Signal word        No signal word
    None
  Hazard statement
  Precautionary statements        None

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Component(s):        p-Tolyl Phenylacetate
  Percent:        >99.0%(GC)
  CAS Number:        101-94-0
  Synonyms:        p-Cresyl Phenylacetate , Phenylacetic Acid p-Tolyl Ester , Phenylacetic Acid p-Cresyl
    Ester
  Chemical Formula:        C15H14O2

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    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 methods:        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.
  p-Tolyl Phenylacetate

Section 5. FIRE-FIGHTING MEASURES
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.
  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
  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.
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  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
  Color:
  Odor:        No data available
  pH: No data available
  Melting point/freezing point:75 °C
  Boiling Point/Range:        148 °C/0.2kPa
  Flash Point:        No data available
  Explosive limits
  Lower:        No data available
    No data available
  Upper:
  Density:        No data available
    No data available
  Solubility:

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.
  Reactivity:        No special reactivity has been reported.
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide
  Products:
  p-Tolyl Phenylacetate

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-rat LD50:>5 g/kg
    skn-rbt LD50:>5 g/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available
    No data available
  Reproductive toxicity:
  RTECS Number:        CY1679750

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
  Crustacea:        No data available
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity 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): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A