十三烷基苯磺酸钠 | 14356-40-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 十三烷基苯磺酸钠
• 英文名称: Sodium 4-tridecylbenzenesulfonate
• 英文别名: sodium;4-tridecylbenzenesulfonate
• CAS: 14356-40-2；26248-24-8
• 化学式: C19H31NaO3S
• 分子量: 362.5
• InChiKey: DUXXGJTXFHUORE-UHFFFAOYSA-M

物化性质

• LogP：
  Log P = 2.52

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

毒理性

• 人类毒性摘录

长时间与溶液接触可能会引起皮肤刺激，但敏化或过敏反应是罕见的。/烷基芳基磺酸钠/

PROLONGED SKIN CONTACT WITH SOLUTIONS MAY CAUSE IRRITATION, BUT SENSITIZATION OR ALLERGIC REACTIONS ARE RARE. /ALKYL ARYL SODIUM SULFONATES/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

.../烷基苯磺酸钠/ 工业用洗涤剂已被认为是导致92名工人在罗马尼亚接触该粉末后，眼睑缝隙角膜上皮出现细小点状斑点的责任因素...一年后干扰仍然存在。 /烷基苯磺酸钠/

.../ALKYL BENZENE SULFONATE/ DETERGENT USED INDUSTRIALLY HAS BEEN HELD RESPONSIBLE FOR DELICATE PUNCTATE SPECKLING OF CORNEAL EPITHELIUM IN PALPEBRAL FISSURE IN 92 WORKERS...EXPOSED TO THE POWDER IN RUMANIA. ...DISTURBANCE WAS STILL PRESENT A YR LATER. /ALKYL BENZENE SULFONATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在动物中口服高剂量后的死亡机制尚不清楚。在低剂量喂养实验中，在大鼠中没有产生系统性毒性的证据。/烷基芳基磺酸钠/

THE MECHANISM OF DEATH AFTER HIGH ORAL DOSES IN ANIMALS IS NOT KNOWN. AT LOW LEVELS FEEDING EXPT HAVE PRODUCED NO EVIDENCE OF SYSTEMIC TOXICITY IN RATS. /ALKYL ARYL SODIUM SULFONATES/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

烷基苯磺酸钠洗涤剂在兔眼测试中通常只产生短暂的刺激，对狗的刺激性似乎更小，对猴子的刺激性更小甚至可以忽略不计... /烷基苯磺酸钠/

...ALKYL BENZENE SULFONATE DETERGENTS HAVE USUALLY PRODUCED ONLY TRANSIENT IRRITATION WHEN TESTED ON RABBIT EYES, & HAVE APPEARED LESS IRRITANT TO DOGS & EVEN LESS TO MONKEYS... /ALKYL BENZENE SULFONATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在几种海洋物种中进行的急性测试表明，鱼类对磺酸酯类物质最为敏感。在鱼类中，当测试三种浓度的十三烷基磺酸酯时，只有最高浓度，即10毫克/升，才会导致可观察到的肠道损伤。/十三烷基磺酸酯/

ACUTE TESTS IN SEVERAL MARINE SPECIES HAVE SHOWN FISH TO BE MOST SENSITIVE TOWARD SULFONATES. ... IN FISH, WHEN 3 CONCN OF TRIDECYL SULFONATE WERE TESTED, ONLY HIGHEST, 10 MG/L, PRODUCED OBSERVABLE INTESTINAL DAMAGE. /TRIDECYL SULFONATES/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

线性烷基苯磺酸盐（LAS）在水蚤（Daphnia magna）和胖头鱼（Fathead Minnows）体内的吸收与链长和暴露浓度有关。在整个生物体中，干重生物浓缩因子（BCF）对于水蚤来说是500-4000，对于胖头鱼来说是200-2000。

UPTAKE OF LINEAR ALKYLBENZENESULFONATE (LAS) IN DAPHNIA PROMELAS & FATHEAD MINNOWS WAS FUNCTION OF CHAIN LENGTH & EXPOSURE CONCN. IN WHOLE ORGANISM, DRY WT BIOCONCN FACTORS (BCF) WERE 500-4000 FOR DAPHNIDS & 200-2000 FOR FATHEAD MINNOWS.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在胖头鱼组织中，从(14)C-LAS中检出的(14)C含量最高的是在胆囊（生物浓缩因子（BCF）在20000-70000之间），而在肌肉中检出的(14)C含量最低（BCF保持在100-400的范围内）。

IN FATHEAD MINNOW TISSUES, GREATEST AMT OF (14)C FROM (14)C-LAS WAS DETECTED IN GALL BLADDER (BIOCONCN FACTORS (BCF) RANGING FROM 20000-70000) WHILE LEAST AMT OF (14)C WAS DETECTED IN MUSCLE (BCF REMAINING IN RANGE OF 100-400).

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在净化研究中，超过85%的线性烷基苯磺酸钠（LAS）在3-4天内从所有组织中清除，大约在10天内达到100%。结果表明，脂肪头鲦鱼代谢了LAS，但水蚤没有。

IN DEPURATION STUDIES, MORE THAN 85% OF LINEAR ALKYLBENZENESULFONATE (LAS) WAS CLEARED FROM ALL TISSUES WITHIN 3-4 DAYS, APPROX 100% WITHIN 10 DAYS. RESULTS SUGGESTED THAT FATHEAD MINNOWS METABOLIZED LAS BUT DAPHNIDS DID NOT.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在暴露于14C-直链烷基苯磺酸钠（LAS）的鲶鱼组织中，大量的14C含量并不是以直链苯磺酸形式存在，而是假定以代谢物的形式存在于肌肉组织中约占30-50%，在胆囊中约占97%。

SUBSTANTIAL PROPORTIONS OF (14)C CONTENT IN TISSUES OF FATHEADS EXPOSED TO (14)C-LAS WERE NOT PRESENT AS LINEAR BENZENESULFONATE (LAS), BUT PRESUMABLY AS METABOLITES (30-50%) IN MUSCLE TISSUES & APPROX 97% IN GALL BLADDER.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2905199090