7694-45-3 (紫苏酸,1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-)

结构式:
CAS号:
7694-45-3
中文名称:
紫苏酸
英文名称:
1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-
分子式:
C10H14O2
分子量:
166.216963291168
简介:
Perillic acid 是 Perillyl alcohol (HY-N7000) 的代谢物。Perillic acid 诱导肺癌细胞周期阻滞和凋亡 (apoptosis)。Perillic acid 具有抗 HSV-1 和免疫调节活性。

紫苏酸(7694-45-3)名称与标识符

名称

中文别名:
紫苏酸;
英文别名:
1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-;4-prop-1-en-2-ylcyclohexene-1-carboxylic acid;(4S)-[2-propenyl]-1-cyclohexene-1-carboxylic acid;(S)-(-)-4-isopropenylcyclohexene-1-carboxylic acid;(S)-(-)-perillyc acid;(S)-4-(prop-1-en-2-yl)cyclohex-1-enecarboxylic acid;4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid;4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid;4-Isopropenyl-1-cyclohexene-1-carboxylic acid;4-Isopropenylcyclohex-1-enecarboxylic acid;EINECS 231-709-5;Perillic a;PERILLIC ACID;NCGC00015832-07;AKOS006230667;SR-01000076076-1;CCG-205081;FT-0693829;NS00015181;Tox21_501001;UNII-PKS69DU4ZQ;SCHEMBL465998;NSC-641067;4-isopropenylcyclohex-1-ene carboxylic acid;CS-0062325;NCGC00015832-05;NCI60_013759;FT-0771613;SR-01000076076-6;(S)-4-(1-Propen-2-yl)cyclohex-1-enecarboxylic Acid;Q27104388;NCGC00015832-03;1-Cyclohexene-1-carboxylic acid, 4-(1-methylethenyl)-;LMPR0102090041;NCGC00015832-04;(-)-perillic acid;SR-01000076076-5;5-AMINO-1H-PYRAZOLE-1,3-DICARBOXYLICACIDETHYLMETHYLESTER;NSC641067;Perillicacid;PERILLIC ACID [INCI];NCGC00094295-01;NCGC00094295-02;EU-0101001;PKS69DU4ZQ;NCGC00094295-04;P 7083;NCGC00261686-01;7694-45-3;HY-113471;LP01001;HMS3263I03;SR-01000076076;SDCCGSBI-0050974.P002;CHEBI:36999;NCGC00015832-06;CHEMBL1373981;SY316382;4-(2-propenyl)-1-cyclohexane-1-carboxylic acid;DTXSID60864105;NCGC00015832-02;CDSMSBUVCWHORP-UHFFFAOYSA-N;Lopac0_001001;NCGC00094295-03;1A4758DA-6365-4FD5-BAEA-16032D3488FF;(S)-(-)-Perillic acid;(+-)-Perrillic acid;

标识符

InChIKey:
CDSMSBUVCWHORP-UHFFFAOYSA-N
Inchi:
1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
SMILES:
OC(C1=CCC(C(=C)C)CC1)=O

紫苏酸(7694-45-3)物化性质

实验特性

  • LogP : 2.37360
  • PSA : 37.30000
  • 折射率 : 1.4859 (estimate)
  • 沸点 : 234.44°C (rough estimate)
  • 熔点 : 129-131 °C(lit.)
  • 闪点 : 134 °C
  • 颜色与性状 : 未确定
  • 密度 : 0.9817 (rough estimate)

计算特性

  • 精确分子量 : 166.09900
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 166.099
  • 重原子数量 : 12
  • 复杂度 : 238
  • 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) : 2.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 37.3A^2

紫苏酸(7694-45-3)安全信息

紫苏酸(7694-45-3)海关数据

海关编码:
2916209090
海关数据:

中国海关编码:

2916209090

概述:

2916209090 其他(环烷、环烯、环萜烯)一元羧酸(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:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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

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
M.进口商品检验
N.出口商品检验

Summary:

2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

紫苏酸(7694-45-3)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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紫苏酸(7694-45-3)相关文献

紫苏酸(7694-45-3) MSDS

基础信息

Name:L-(-)-Perillic Acid 95% Material Safety Data Sheet
Synonym:None
CAS:7694-45-3
Section 1 - Chemical Product ? MSDS Name:L-(-)-Perillic Acid 95% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
7694-45-3L-(-)-Perillic Acid95231-709-5
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
Causes skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 7694-45-3: 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 gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: cream
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 129.00 - 131.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H14O2
Molecular Weight: 166.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 7694-45-3: GW4564565 LD50/LC50:
Not available.
Carcinogenicity:
L-(-)-Perillic Acid - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 7694-45-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7694-45-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7694-45-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A