589-18-4

• 常用中文名：4-甲基苄醇
• 常用英文名：p-tolylmethanol
• CAS号：589-18-4
• 分子式：C₈H₁₀O
• 分子量：122.164
• 相关类别： 香精与香料 合成香料 醇类香料 芳香族醇
• 发布时间：2018-09-02 13:11:26
• 更新时间：2024-01-02 14:49:01
• 【用途一】
  用于合成染料、医药等
  【用途二】
  用作有机合成中间体，可制取增塑剂，有机锡系氯乙烯稳定剂、非汞系农药，以及香料、表面活性剂等。该品对环氧、醇酸、丙烯、三聚氰胺等许多合成树脂和各种纤维素、松香、植物油等具有优良的溶解性能，可用作涂料的高沸点溶剂、涂料剥离剂组分、圆珠笔油溶剂，也用于羊毛等的染色助剂、橡胶再生剂、照相化学品等方面。

名称

• 中文名: 4-甲基苄醇
• 英文名: 4-methylbenzyl alcohol
• 中文别名: 对甲基苯甲醇; 对甲基苄醇; 4-甲基苯甲醇
• 英文别名: p-methyl-benzyl alcohol; 4-methyl-benzyl alcohol; P-TOLYLCARBINOL; 4-Me-benzyl alcohol; RARECHEM AL BD 0113; p-Tolyl-methanol; Q1R D1; PMAL; 4-Methylbenzyl alcohol; (4-methylphenyl)methyl alcohol; p-methylbenzyl; Benzenemethanol, 4-methyl-; EINECS 209-639-1; METHYLBENZYL ALCOHOL; p-Toluyl alcohol; (4-Methylphenyl)methanol; p-Tolymethanol; MFCD00004664; p-tolylmethanol; 4-TOLYL CARBINOL

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 218.4±8.0 °C at 760 mmHg
• 熔点: 59-61 °C(lit.)
• 分子式: C₈H₁₀O
• 分子量: 122.164
• 闪点: 105.0±3.5 °C
• 精确质量: 122.073166
• PSA: 20.23000
• LogP: 1.50
• 外观性状: 白色结晶固体
• 蒸汽压: 0.1±0.5 mmHg at 25°C
• 折射率: 1.540
• 储存条件:

  贮存：

  将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积20.2

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:72.6

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  一、物性数据

  1. 性状：无色针状结晶体。

  2. 熔点（℃）：61.5

  3. 沸点（ºC）：217

  4. 溶解性：溶于醇；醚；氯仿，微溶于水。

  5. 相对密度（20℃，4℃）：0.978²²

MSDS

Name: 4-Methylbenzyl Alcohol 98% Material Safety Data Sheet Synonym: 4-Tolylcarbinol; P-Methylbenzylalcohol CAS: 589-18-4 Section 1 - Chemical Product MSDS Name:4-Methylbenzyl Alcohol 98% Material Safety Data Sheet Synonym:4-Tolylcarbinol; P-Methylbenzylalcohol Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 589-18-4 4-Methylbenzyl Alcohol 98% 209-639-1 Hazard Symbols: XI Risk Phrases: 38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes severe skin irritation. Ingestion: May cause irritation of the digestive tract. Inhalation: May cause respiratory tract irritation. 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. Immediately 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. Wash mouth out with 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. 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. 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# 589-18-4: 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 minimize contact with skin. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystals Color: white - semi-transparent Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 217 deg C @ 760.00mmHg Freezing/Melting Point: 59 - 61 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H10O Molecular Weight: 122.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Acid chlorides, acid anhydrides, acids, oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 589-18-4: DO9370000 LD50/LC50: CAS# 589-18-4: Draize test, rabbit, skin: 500 mg/24H Severe; Oral, mouse: LD50 = 1400 mg/kg; Oral, rat: LD50 = 3900 mg/kg; Skin, rabbit: LD50 = >5 gm/kg. Carcinogenicity: 4-Methylbenzyl Alcohol - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 38 Irritating to skin. Safety Phrases: S 37 Wear suitable gloves. WGK (Water Danger/Protection) CAS# 589-18-4: No information available. Canada CAS# 589-18-4 is listed on Canada's DSL List. CAS# 589-18-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 589-18-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性： 与分类相关的LD/LC50值： 口腔 LD50 1400mg/kg(mus) 3900mg/kg(rat) 皮肤 LD50 5gm/kg(rbt) 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : DO9370000 CHEMICAL NAME : Benzyl alcohol, p-methyl- CAS REGISTRY NUMBER : 589-18-4 BEILSTEIN REFERENCE NO. : 1856550 LAST UPDATED : 199701 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C8-H10-O MOLECULAR WEIGHT : 122.18 WISWESSER LINE NOTATION : Q1R D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,839,1982 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3900 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,839,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,347,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 324 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 104,793,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,839,1982

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): Xi:Irritant
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: DO9370000
• 海关编码: 2902909090

合成路线

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104-81-4

制备

一、生产方法简述

由甲苯经氯甲基化得到对氯甲基甲苯，用碱皂化生成对甲基苄醇。

海关

海关编码	2902909090
中文概述	2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素	品名, 成分含量
Summary	2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%