99-83-2

• 常用中文名：水芹烯
• 常用英文名：α-phellandrene
• CAS号：99-83-2
• 分子式：C₁₀H₁₆
• 分子量：136.23
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 吡啶衍生物
• 发布时间：2018-03-04 08:00:00
• 更新时间：2024-01-02 15:19:22
• α-Phellandrene(alpha-Phellandrene) 具有抗真菌活性。α-Phellandrene? 显着抑制 P. cyclopium 的菌丝生长,破坏其细胞膜完整性并导致细胞成分渗漏。

名称

• 中文名: α-水芹烯
• 英文名: α-phellandrene
• 中文别名: Alpha-水芹烯,天然品; 水芹烯
• 英文别名: (±)-a-Phellandrene; 3-Thujylidenehydrazide of isonicotinic acid; 2-methyl-5-isopropylcyclohexa-1,3-diene; a-phellandrene; 5-Isopropyl-2-methylcyclohexa-1,3-diene; ISONICOTINIC ACID,3-THUJYLIDENEHYDRAZIDE; 5-Isopropyl-2-methyl-1,3-cyclohexadiene; alpha-phellandrene; MFCD00040419; EINECS 202-792-5; 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-; 2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene; (3R,5R)-(+)-2,6-DIMETHYL-3,5-HEPTANEDIOL; 2-Methyl-5-isopropyl-3-isonicotinoylhydrazono-bicyclo[3.1.0]hexan; Phellandrene

物化性质

• 密度: 0.8±0.1 g/cm3
• 沸点: 171.5±0.0 °C at 760 mmHg
• 分子式: C₁₀H₁₆
• 分子量: 136.23
• 闪点: 43.7±13.0 °C
• 精确质量: 136.125198
• LogP: 4.43
• 蒸汽压: 1.9±0.1 mmHg at 25°C
• 折射率: 1.469
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：45.44

  2、 摩尔体积（cm³/mol）：163.1

  3、 等张比容（90.2K）：368.3

  4、 表面张力（dyne/cm）：25.9

  5、 极化率（10-24cm3）：18.01

生物活性

• 描述: α-Phellandrene(alpha-Phellandrene) 具有抗真菌活性。α-Phellandrene? 显着抑制 P. cyclopium 的菌丝生长,破坏其细胞膜完整性并导致细胞成分渗漏。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 真菌
• 参考文献:

  [1]. Zhang JH, et al. Anti-fungal activity, mechanism studies on α-Phellandrene and Nonanal against Penicillium cyclopium. Bot Stud. 2017 Dec;58(1):13.

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: α-Phellandrene REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 99-83-2 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Flammable liquids (Category 3), H226 Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Eye irritation (Category 2), H319 Respiratory sensitisation (Category 1), H334 Specific target organ toxicity - single exposure (Category 3), H335 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC Xn, F Harmful, FlammableR10, R22, R36/37/38, R43 For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordDanger Hazard statement(s) H226Flammable liquid and vapour. H302Harmful if swallowed. H315Causes skin irritation. H319Causes serious eye irritation. H334May cause allergy or asthma symptoms or breathing difficulties if inhaled. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing vapours. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements Other hazards Rapidly absorbed through skin. SECTION 3: Composition/information on ingredients Substances Formula: C10H16 Molecular Weight: 136,23 g/mol CAS-No.: 99-83-2 EC-No.: 202-792-5 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration p-Mentha-1,5-diene CAS-No.99-83-2Flam. Liq. 3; Acute Tox. 4;50 - 100 % EC-No.202-792-5Skin Irrit. 2; Eye Irrit. 2; Resp. Sens. 1; STOT SE 3; H226, H302, H315, H319, H334, H335 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration p-Mentha-1,5-diene CAS-No.99-83-2Xn, F, R10 - R22 - R36/37/38 - 50 - 100 % EC-No.202-792-5R43 For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information Use water spray to cool unopened containers. SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations (see section 13). Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Air and light sensitive. Specific end use(s) Apart from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: liquid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 171,5 °C at 1.013 hPa boiling range g) Flash point47 °C - closed cup h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density0,85 g/cm3 at 25 °C n) Water solubilityno data available o) Partition coefficient: n-log Pow: 2,36 - The preceding data, or interpretation of data, was octanol/waterdetermined using Quantitative Structure Activity Relationship (QSAR) modeling. p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid Heat, flames and sparks. Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Inhalation: no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: OS8080000 burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. SECTION 12: Ecological information Toxicity Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: 2319IMDG: 2319IATA: 2319 UN proper shipping name ADR/RID: TERPENE HYDROCARBONS, N.O.S. IMDG: TERPENE HYDROCARBONS, N.O.S. IATA:Terpene hydrocarbons, n.o.s. Transport hazard class(es) ADR/RID: 3IMDG: 3IATA: 3 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Full text of H-Statements referred to under sections 2 and 3. Acute Tox.Acute toxicity Eye Irrit.Eye irritation Flam. Liq.Flammable liquids H226Flammable liquid and vapour. H302Harmful if swallowed. H315Causes skin irritation. H319Causes serious eye irritation. H334May cause allergy or asthma symptoms or breathing difficulties if inhaled. H335May cause respiratory irritation. Resp. Sens.Respiratory sensitisation Skin Irrit.Skin irritation STOT SESpecific target organ toxicity - single exposure Full text of R-phrases referred to under sections 2 and 3 FFlammable XnHarmful R10Flammable. R22Harmful if swallowed. R36/37/38Irritating to eyes, respiratory system and skin. R43May cause sensitisation by skin contact. Further information Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : OS8080000 CHEMICAL NAME : p-Mentha-1,5-diene CAS REGISTRY NUMBER : 99-83-2 BEILSTEIN REFERENCE NO. : 1280394 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C10-H16 MOLECULAR WEIGHT : 136.26 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Human - man REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,843,1978 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,843,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2097 No. of Facilities: 361 (estimated) No. of Industries: 9 No. of Occupations: 8 No. of Employees: 13236 (estimated) No. of Female Employees: 2826 (estimated)

安全

• 符号: GHS02, GHS07, GHS08
• 信号词: Danger
• 危害声明: H226-H302-H315-H319-H334-H335
• 警示性声明: P261-P305 + P351 + P338-P342 + P311
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn,F
• 风险声明 (欧洲): 10-22-36/37/38-43
• 安全声明 (欧洲): 16-26-36/37
• 危险品运输编码: UN 2319 3
• WGK德国: 3
• RTECS号: OS8080000
• 包装等级: III
• 危险类别: 3.2
• 海关编码: 2902199090

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制备

【方法一】
用真空分馏法从含量多的精油中单离而得。

海关

海关编码	2902199090
中文概述	2902199090 其他环烷烃、环烯烃及环萜烯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
申报要素	品名, 成分含量
Summary	2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%