Propyl Paraben 对羟基苯甲酸丙酯

CAS 94-13-3 MFCD00002354

化学结构图

94-13-3
SMILES: CCCOC(=O)c1ccc(O)cc1

化学属性

Mol. FormulaC10H12O3
Mol. Weight180.20
Melting Point95-98°C
Density1.063
Flash Point124.6°C
TSCAYes
Boiling Point294.3°C at 760 mmHg
Solubility<0.1 G/100 ML AT 12 ºC
Refractive index1.5050

别名和识别编码

Chemical NamePropyl Paraben
CAS Number94-13-3
Synonym Propylparaben {LY} Propylparaben {} {LY} Propylparaben {} {} {LY} Propylparaben {} {} {} {LY} Propylparaben {} {} {} {} {LY} Propylparaben {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propylparaben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number1103245
EC Number202-307-7
MDL NumberMFCD00002354
Reaxys-RN1103245
PubChem Substance ID87570648
Merck Number7866
Chemical Name Translation对羟基苯甲酸丙酯
Wiswesser Line NotationQR DVO3
LabNetwork Molecule IDLN00220908
InChIInChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
Canonical SMILESO=C(OCCC)C1=CC=C(O)C=C1
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分类

  • {SNA} Analytical S
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules,
  • {SNA} Alphabetical L
  • {SNA} Analytical Standards,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards,
  • {uni_hamburg} no charge; carbocycle; aroma
  • {SNA} Analytical Standards, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards P - R, 分析/色谱
  • {SNA} Analytical/Chromatography, Bioactive Small Molecules, P, Pharmacopoeia, Pharmacopoeia A-Z, 细胞生物学
  • Allergens, Analytical Standards, Analytical/Chromatography, Chromatography, Cosmetic Standards,

产品应用

  • An antimicrobial

相关文献及参考

  • [2]. Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products. Int J Toxicol. 2008;27 Suppl 4:1-82.
  • [3]. S Oishi, et al. Effects of propyl paraben on the male reproductive system. Food Chem Toxicol. 2002 Dec;40(12):1807-13.
  • Gilliland, D., et al.: J. Appl. Bacteriol., 72, 258
  • Merck: 14,7866
  • Merck: 14,7866 Beilstein: 10,IV,374
  • Short: EINECS
  • Short: III/38B
  • Short: IV/8A
  • [1]. Gal A, et, al. Propylparaben inhibits mouse cultured antral follicle growth, alters steroidogenesis, and upregulates levels of cell-cycle and apoptosis regulators. Reprod Toxicol. 2019 O
  • [1]. Gal A, et, al. Propylparaben inhibits mouse cultured antral follicle growth, alters steroidogenesis, and upregulates levels of cell-cycle and apoptosis regulators. Reprod Toxicol. 2019 Oct;89:100-106.

安全信息

GHS Symbol
WGK Germany1
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
RTECSDH2800000
Precautionary statements
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
  • 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1650 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 128,135,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6332 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NEZAAQ Nippon Eiseigaku Zasshi.  Japanese Journal of Hygiene.  (Nippon Eisei
   Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606,
   Japan)  V.1-    1946-  Volume(issue)/page/year: 28,463,1973

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 6 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 146,208

其他信息

  • 方法二:由对羟基苯甲酸与正丙醇在硫酸存在下酯化而得。
  • Acros Organics:对羟基苯甲酸丙酯 Propyl 4-hydroxyben
  • 海关编码:29182930
  • 毒性分级:中毒
  • FEMA:2951
  • 参考质量标准二:GB 8851-1988 含量/%≥@99.0 熔点/℃@95~98 硫酸盐(以SO4 2- 计)/%@≤0.024 灼烧残渣/%@≤0.5 酸度试验@合格 对羟基苯甲酸及水杨酸试验@合格 干燥失重/%@≤0.5 重金属(以Pb计)/%@≤0.001 砷(以As计)/%@≤0.0001
  • 上游原料:硫酸 --> 对羟基苯甲酸 --> 酯化釜 --> 丙醇 --> 尼泊金乙酯
  • {Chemica
  • 参考质量标准一:GB 885—88 FAO WHO,1998(强制性国标) 含量(以干基计) ≥99.0% ≥99.0% 熔点 95~98℃ - 干燥失重 ≤0.5% ≤0.5%(硅胶,5h) 硫酸盐(以SO4计) ≤0.024% ≤0.05%(GT-5-1,试样2g 灼烧残渣 ≤0.05% - 酸度试验 合格 正常 对羟基苯甲酸及水杨酸试验 合格 正常 砷(以As计) ≤0.0001% - 重金属(以Pb计) ≤0.001% 铅(原子吸收光谱法) ≤2mg/kg
  • 易溶于醇和醚,在水中几乎不溶。
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 用途四:防腐剂;抗微生物剂。
  • 类别:有毒物质
  • 用途五:用作食品、化妆品、药物等的防腐杀菌剂。
  • {
  • Alfa Aesar:对羟基苯甲酸正丙酯,99% n-Propyl 4-hydroxybenzoate, 99+%(94-13-3)
  • 尼泊金丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30158570 对羟基苯甲酸丙酯 1kg 110元 2011/08/23 30158526 对羟基苯甲酸丙酯 100g 26.7元 2011/08/23 K5479001 4-羟基苯甲酸丙酯;对羟基安息香酸丙酯; 尼泊金丙酯 100g 262元
  • 所属类别一:食品添加剂: 防腐剂
  • MSDS 信息:对羟基苯甲酸丙酯(94-13-3).msds
  • Acros Organics:对羟基苯甲酸丙酯 P
  • 外观性质:白色粉末。
  • 用途二:用作防腐剂及抗氧化剂,也用于制药工业
  • 方法一:将对羟基苯甲酸和正丙醇依次加入酯化釜,加热搅拌使其溶解,慢慢加入浓硫酸后加热回流酯化8h;然后趁热将反应液放入4%的碳酸钠溶液,不断搅拌析出结晶,离心过滤水洗至中性即为粗品;再经活性炭脱色、乙醇重结晶即得成品。也可参照对羟基苯甲酸乙酯的制法。 HOC6H4COOH+C3H7OH[H2SO4]→HOC6H4COOC3H7
  • 图谱信息:尼泊金丙酯(94-13-3)红外图谱(IR1) 尼泊金丙酯(94-13-3)质谱(MS) 尼泊金丙酯(94-13-3)核磁图( 13 CNMR) 尼泊金丙酯(94-13-3)Raman光谱 尼泊金丙酯(94-13-3)红外图谱(IR2) 尼泊金丙酯(94-13-3)核磁图( 1 HNMR)
  • 使用限量:GB 2760--2002(以对羟苯甲酸计;g/kg):果蔬保鲜0.012;食醋0.10;碳酸饮料0.20;果汁(果味)型饮料、果酱(不包括罐头)、酱油酱料,0.25;糕点馅,0.5(单一用或与对羟苯甲目乙酯混合用总量);蛋黄馅0.20。 另规定对羟基苯甲酸甲酯钠亦等同应用。 FAO/WHO(1984):果酱和果冻,1000mg/kg FDA§184.1670(2000):0.1%。 EEC(1990,mg/kg):冷冻饮品160;甜菜酸渍菜、沙拉酱,250;香料、水
  • 毒性:Adl 0-10mg/kg(FAO/WHO,2001)。 LD 50 3.7g/kg(小鼠,经口)。 GRAS(FDA,§184.1670,2000)。 HACSG列为限用名单。

系列性分类