Benzoic acid 苯甲酸

CAS 65-85-0 MFCD00002398

化学结构图

65-85-0
SMILES: O=C(O)c1ccccc1

化学属性

Mol. FormulaC7H6O2
Mol. Weight122.12
Boiling Point2479°C at 760 mmHg
Melting Point121-125 °C
Density1.08
Flash Point121°C
TSCAYes
Autoignition Point1061 °F
Vapor Density4.21 (vs air)
Vapor Pressure10 mmHg ( 132 °C)
Solubility略溶于水. 0.34 G/100 ML
Refractive index1.504
Stability对湿度敏感

别名和识别编码

Chemical NameBenzoic acid
CAS Number65-85-0
EC Number200-618-2
Beilstein Registry Number636131
MDL NumberMFCD00002398
PubChem Substance ID243
Synonym Benzoic acid {LY} Benzoic acid {} {LY} Benzoic acid {} {} {LY} Benzoic acid {} {} {} {LY} Benzoic acid {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoic acid
Reaxys-RN636131
Merck Number1091
Chemical Name Translation苯甲酸
Wiswesser Line NotationQVR
LabNetwork Molecule IDLN00195619
InChIInChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Canonical SMILESO=C(O)C1=CC=CC=C1
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分类

  • {SNA} Acids & Bases, Aspalathus linearis (Rooibos tea), Benzoic Acid and Benzoic Acid Solutions, Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Cell Biology, Chemical Synthesis, Citrus aurantium (Seville orange), Ephedra sinica, Essential Chemicals,
  • {SNA} Acids,

产品应用

  • 碱定量标准。碘定量标准。热值标准。检定铝、硼、铈、铜、铁、铅、锰、汞、镍、硝酸盐、亚硝酸盐、银、钛、钨和钒。测定铝、铜、铁、钛和铀。有机微量分析测定碳、氢、氧和相对分子质量的标准。有机分析中还用于苯甲酰化。用作防腐剂。

相关文献及参考

  • Merck: 14,1091
  • Merck: 14,1091 Beilstein: 9,92
  • Short: II/2
  • Short: II/27B
  • [1]. Nair B, et al. Final report on the safety assessment of Benzyl Alcohol, Benzoic Acid, and Sodium Benzoate. Int J Toxicol. 2001;20 Suppl 3:23-50.

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
RTECSDG0875000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P317
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard Codes T,Xi Xn Xi Xn,T
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S24 Avoid contact with skin 避免皮肤接触;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
  • S63
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R36 Irritating to eyes 刺激眼睛
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37 Irritating to respiratory system 刺激呼吸道
  • R38 Irritating to skin 刺激皮肤
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R42/43
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R45 May cause cancer 可能致癌
  • R48/23
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
UN Number UN 3077 9/PG 3 9094
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1460 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 160,1097,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APYPAY Acta Physiologica Polonica.  (Karger-Libri, POB CH-4009, Warszawa,
   Switzerland) V.1-41, 1950-90.  Volume(issue)/page/year: 12,173,1961

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 500 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: 17,715,1979

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MMWOAU Muenchener Medicinische Wochenschrift.  (Munich, Fed. Rep. Ger.)
   V.33-115, 1886-1973.  Volume(issue)/page/year: 77,13,1930

TYPE OF TEST

{hazard_

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   ZBPIA9 Zentralblatt fuer Bakteriologie, Parasitenkunde,
   Infektionskrankheiten und Hygiene, Abteilung II. Naturwissenschaftliche:
   Allgemeine, Landwirtschaftliche und Technische Mikrobiologie. (Jena, Ger.
   Dem. Rep.)  V.107-132, 1952-77.  Volume(issue)/page/year: 112,226,1959

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   PNASA6 Proceedings of the National Academy of Sciences of the United States
   of America.  (National Academy of Sciences, Printing & Pub. Office, 2101
   Constitution Ave., Washington, DC 20418) V.1-    1915-
   Volume(issue)/page/year: 79,1171,1982

其他信息

  • 标准值 不确定度 单位
  • 参考质量标准:GB
  • 用途八:苯甲酸和它的钠盐是食品的重要防腐剂。在酸性条件下,对酵母和霉菌的抑制作用,pH值为3时抗菌力量强,而pH为6时对很多霉菌效果很差,故其抑菌最适pH值为2.5-4.0。苯甲酸主要用于生产苯甲酸钠食品防腐剂,染料
  • 具有苯或甲醛的气味,易燃。质轻。无气味或微有类似安息香或苯甲醛的气味。在100℃时迅速升华,能随水蒸气同时挥发。易溶于醇、氯仿、醚和丙酮,能溶于苯、二硫化碳、松节油及油类,微溶于水和石油醚
  • 方法四:最初由安息香胶干
  • 储运特性:通风低温干燥; 与氧化剂分开存放
  • 外观性质:鳞片状或针状结晶, 具有苯或甲醛的臭味。
  • 图谱信息:苯甲酸(65-85-0)Raman光谱 苯甲酸(65-85-0)核磁图( 1 HNMR) 苯甲酸(65-85-0)红外图谱(IR2) 苯甲酸(65-85-0)红外图谱(IR3) 苯甲酸(65-85-0)质谱(MS) 苯甲酸(65-85-0)核磁图( 13 CNMR) 苯甲酸(65-85-0)红外图谱(IR1)
  • 刺激数据:皮肤-兔
  • 具有苯或甲醛的气味
  • 下游产品:过氧化二苯甲酰 --> 丙烯酸甲酯 --> 苯甲酰氯 --> 苯甲酸钠 --> 酚醛树脂漆类 --> 荧光胺 --> 氨基树脂漆类 --> 间羟基苯甲酸 --> 4-叔丁基苯酚 --> 苯甲酸苄酯 --> 绒毛膜促性激素 --> 苯甲酸甲酯 --> 直接黄 12 --> 奈福泮 --> 灭萎灵 --> (S)-(-)-N-苄基-alpha-甲基苄胺 --> 2-碘酰基苯甲酸 --> 2,5-二苯基-1,3,4-恶二唑 --> 间硝基苯甲酸 --> 间羧基苯磺酰胺 --> 依西美坦 --> 3,5-二羟基苯甲酸 --> 苯甲酸钾 --> 直接黑168 --> 苯甲酸铵 --> 3,5-二氨基苯甲酸 --> 苯甲酸十二醇酯 --> 苯甲酸异戊酯 --> 3,4-二羟基苯甲酸乙酯
  • 用途六:苯甲酸是重要的酸型食品防腐剂。在酸性条件下,对霉菌、酵母和细菌均有抑制作用,但对产酸菌作用较弱。抑菌的最适pH值为2.5~4.0,一般以低于pH值4.5~5.0为宜。在食品工业用塑料桶装浓缩果蔬汁,最大使用量不得超过2.0g/kg;在果酱(不包括罐头)、果汁(味)型饮料、酱油、食醋中最大使用量1.0g/kg;在软糖、葡萄酒、果酒中最大使用量0.8g/kg;在低盐酱菜、酱类、蜜饯,最大使用量0.5g/kg;在碳酸饮料中最大使用量0.2g/kg。由于苯甲酸微溶于水,使用时可用少量乙醇使其溶解。
  • F:21
  • 上游原料:甲苯 --> 氯 --> 甲酸 --> 苯酐 --> 氧化锌 --> 苄醇 --> 萘 --> 氧化铅 --> 三氯化苄 --> 环烷酸钴 --> 邻苯二甲酸 --
  • 制备:工业制法 目前工业上苯甲酸主要是通过甲苯的液相空气氧化制取的。过程是以环烷酸钴为催化剂,在反应温度为140-160℃和操作压力0.2-0.3MPa下反应生成苯甲酸。反应后蒸去甲苯,并减压蒸馏、重结晶,即得产品。该工艺利用廉价原料,收率高,因此是工业上主要使用的方法。 实验室制法 主反应: 1.甲苯+高锰酸钾+水——苯甲酸钾+氢氧化钾+二氧化锰+水(前面的水是提供反应环境) 2.苯甲酸钾+浓盐酸——苯甲酸 药品与用量: 甲苯1.5g(1.7ml,0.016mol)、高锰酸钾5g(0.032mol)、十六烷基三甲基溴化铵0.1g 实验操作: 用100ml的圆底烧瓶。安装回流装置。向反应瓶中分别加入5g高锰酸钾,0.1g十六烷基三甲基溴化铵,1.7ml甲苯及50ml水,搅拌加热沸腾(剧烈搅拌,猛烈沸腾),保持反应物溶液平稳沸腾。 当大量棕色沉淀生成,高锰酸钾的紫色变浅或消失,甲苯层消失时,反应基本结束。过滤出二氧化锰沉淀,滤液用浓盐酸酸化,析出苯甲酸的沉淀,抽滤得粗产品。 粗产品用水重结晶。在沸水浴上干燥,称量,测其熔点。
  • TCI Shanghai:苯甲酸(区域精制法精制,熔段数:20) Benzoic A
  • 毒性分级:中毒
  • 用途八:苯甲酸和它的钠盐是食品的重要防

系列性分类


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