丙酸香芹酯 | 97-45-0

• 物质功能分类: 香精与香料 - 合成香料 - 羧酸及酯类香料
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 丙酸香芹酯
• 中文别名: 2-甲基-5-(1-甲基己烯基)-2-环己烯1-醇丙酸酯
• 英文名称: Carvyl propionate
• 英文别名: (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) propanoate
• CAS: 97-45-0
• 化学式: C₁₃H₂₀O₂
• mdl: MFCD00001560
• 分子量: 208.3
• InChiKey: DFVXNZOMAOGTBL-UHFFFAOYSA-N

物化性质

• 沸点：
  78-80 °C0.2 mm Hg(lit.)
• 密度：
  0.952 g/mL at 25 °C(lit.)
• 闪点：
  226 °F
• LogP：
  4.05
• 物理描述：
  colourless slightly oily liquid with a minty-spearminty herbaceous odour
• 溶解度：
  insoluble in water; soluble in alcohol and most fixed oils
• 折光率：
  1.469-1.479
• 保留指数：
  1441;1440;1440
• 稳定性/保质期：

  在常温常压下稳定，应避免与氧化剂接触。

  无色略呈油状的液体，具有甜、暖、薄荷、留兰香和草莓香气。它不溶于水，但能溶解于乙醇和大多数非挥发性油类。

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.615
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• 海关编码：
  29155000
• RTECS号：
  OS8525000

SDS

Name:	(-)-Carvyl Propionate 98+% Material Safety Data Sheet
Synonym:	2-Cyclohexen-1-ol,2-Methyl-5-(1-Methylethenyl)-, Propanoate; L-P-Mentha-6,8(9)-Dien-2-yl Propionate
CAS:	97-45-0

Section 1 - Chemical Product MSDS Name:(-)-Carvyl Propionate 98+% Material Safety Data Sheet
Synonym:2-Cyclohexen-1-ol,2-Methyl-5-(1-Methylethenyl)-, Propanoate; L-P-Mentha-6,8(9)-Dien-2-yl Propionate

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
97-45-0	2-Cyclohexen-1-ol,2-Methyl-5-(1-Methyl	98+	202-583-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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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.

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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:

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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. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Water may be ineffective. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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.

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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# 97-45-0: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear very slight yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78.0 - 80.0 deg C @ .20mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 107 deg C ( 224.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9520g/cm3
Molecular Formula: C13H20O2
Molecular Weight: 208.30

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 97-45-0: OS8525000 LD50/LC50:
CAS# 97-45-0: Draize test, rabbit, skin: 500 mg/24H Mild.
Carcinogenicity:
2-Cyclohexen-1-ol,2-Methyl-5-(1-Methylethenyl)-, Propanoate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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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# 97-45-0: No information available.
Canada
CAS# 97-45-0 is listed on Canada's DSL List.
CAS# 97-45-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 97-45-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

毒性：GRAS（FEMA）。

LD₅₀值为75g/kg（大鼠，经口）。

使用限量：

• 软饮料：1.0 mg/kg
• 冷饮：2.0 mg/kg
• 糖果：2.0～24 mg/kg
• 焙烤食品：2.0～24 mg/kg

FDA 规定，适量为限。

化学性质： 这是一种无色略呈油状的液体，具有甜、暖、薄荷、留兰香和草莓香气。沸点分别为239℃或79℃（26.7帕斯卡）。该物质不溶于水，但可溶于乙醇和大多数非挥发性油类。

用途： 主要用于食品用香料，特别是留兰香和香辛料类香精的配制。

生产方法： 由1-香芹醇与丙酸酐酯化而得。

文献信息

• [EN] ARTHROPOD CONTROLLING COMPOSITION<br/>[FR] COMPOSITION DE LUTTE CONTRE LES ARTHROPODES
  申请人：FIRMENICH & CIE

  公开号：WO2020239980A1

  公开（公告）日：2020-12-03

  The present invention relates to an arthropod controlling composition comprising a compound according to formula (I), methods and uses to control arthropods as well as arthropod controlling articles comprising the same.

  本发明涉及一种包括根据式(I)的化合物的节肢动物控制组合物，以及用于控制节肢动物的方法和用途，以及包含相同化合物的节肢动物控制物品。
• NOVEL COCRYSTALLIZATION
  申请人：CHILDS Scott L.

  公开号：US20090281195A1

  公开（公告）日：2009-11-12

  The present disclosure relates to novel cocrystals and novel methods for cocrystallization. In particular, the disclosure includes cocrystals comprising a salt of an active agent, such as a chloride salt of an active pharmaceutical ingredient. The present disclosure also relates to methods of preparing cocrystals and methods for screening for solid state phases.

  本公开涉及新型共晶体和新型共晶化方法。具体而言，公开包括由活性剂的盐组成的共晶体，例如活性药物成分的氯化物盐。本公开还涉及制备共晶体的方法和筛选固态相的方法。
• ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION
  申请人：HALLIBURTON ENERGY SERVICES, INC.

  公开号：US20160177698A1

  公开（公告）日：2016-06-23

  The present invention relates to energetic cocrystals, and to methods for using the same for treatment of a subterranean formation. In various embodiments, the present invention provides a method of treating a subterranean formation, the method including obtaining or providing a composition including energetic cocrystals. Each energetic cocrystal independently includes an energetic compound and a secondary material. The method also includes placing the composition in a subterranean formation.

  本发明涉及具有能量共晶体的相关技术，以及使用这些技术治疗地下地层的方法。在各种实施例中，本发明提供了一种治疗地下地层的方法，该方法包括获得或提供包括能量共晶体的组合物。每个能量共晶体独立地包括一个能量化合物和一个辅助材料。该方法还包括将该组合物放置在地下地层中。
• Topical antibacterial compositions
  申请人：ABBOTT LABORATORIES

  公开号：EP0289900A1

  公开（公告）日：1988-11-09

  An antibacterial composition for topical administration, comprising from about 0.5 to about 10 percent of an antibacterial compound; from about one to about 30 percent of a non water soluble polymeric composition; from about .5 to about 40 percent of a plasticizer which plasticizes said polymeric composition; and from about 50 to about 95 percent of a solvent in which said polymeric composition and plasticizer are dissolved; whereby upon topical application of said antibacterial composition, said solvent will evaporate or penetrate the skin and leave a thin protective film of polymeric composition which retains said antibacterial compound against the skin.

  一种用于局部用药的抗菌组合物，包括约 0.5% 至约 10% 的抗菌化合物；约 1% 至约 30% 的非水溶性聚合物组合物；约 .5%至约 40%的增塑剂，可使所述聚合物组合物增塑；以及约 50%至约 95%的溶剂，所述聚合物组合物和增塑剂溶解在溶剂中；据此，在局部使用所述抗菌组合物时，所述溶剂将蒸发或渗透皮肤，并留下一层聚合物组合物保护膜，使所述抗菌化合物保留在皮肤上。
• METHODS FOR IDENTIFYING ARTHROPOD REPELLENTS, AND COMPOUNDS AND COMPOSITIONS IDENTIFIED BY SUCH METHODS
  申请人：The Regents of the University of California

  公开号：EP3409115A2

  公开（公告）日：2018-12-05

  Provided herein are screening methods for identifying compounds for use as an arthropod repellent based on the masking or inhibition of the detection of the skin odor by a cpA neuron. Provided herein are also screening methods for identifying compounds for use as an arthropod attractant based on activation of the cpA neuron. Further provided are one or more compounds identified using the screening methods described herein, and compositions containing such compounds.

  本文提供了根据掩蔽或抑制 cpA 神经元对皮肤气味的检测来确定用作节肢动物驱避剂的化合物的筛选方法。本文还提供了根据 cpA 神经元的激活来鉴定用作节肢动物吸引剂的化合物的筛选方法。此外，还提供了使用本文所述筛选方法鉴定出的一种或多种化合物，以及含有此类化合物的组合物。

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