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维生素B5(D-泛酸钙) | 137-08-6

维生素B5(D-泛酸钙)结构式图片|137-08-6结构式图片 查看维生素B5(D-泛酸钙)结构式大图
中文名称: 维生素B5(D-泛酸钙)
英文名称: Calcium pantothenate
CAS No.: 137-08-6 | 分子式: 2[C9H16NO5].Ca | 分子量: 476.53208
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:维生素B5(D-泛酸钙)结构式
MSDS:维生素B5(D-泛酸钙)msds
基本信息
中文别名:
维生素B5 (R)-N-(2,4-二羟基-3,3-二甲基-1-氧代丁基)-β-丙氨酸钙(2:1) D-泛酸钙 N-(2,4-二羟基-3,3-二甲基丁酰)-β-氨基丙酸钙 本多生酸钙 右旋泛酸钙 N-(2,4-二羟基-3,3-二甲基丁酰基)-Β-氨基丙酸钙 维生素B5标准品 泛酸鈣 (维生素B5)D-泛酸钙 3-(4-十八烷基)-苯甲酰丙烯酸 6-羟基异烟酸酰肼 Calcium D-Pantothenate D-泛酸钙 DL-泛酸钙 D-Pantothenic acid(Vitamin B5) D-泛酸钙 D-泛酸钙(维生素B5) D-泛酸钙标准品 泛酸钙 EP标准品 泛酸钙 USP标准品 泛酸钙 标准品 泛酸钙(D-(+)-Pantothenic acid calcium salt) 泛酸钙,BR 泛酸钙标准品(JP) 维生素B(泛酸钙盐水合物) 维生素B5 (D-泛酸钙) 维生素B5(泛酸钙 ) 维他命原B5-D4钙盐 (R)-(+)-N-(2,4-二羟基-3,3-二甲基-1-氧代丁基)-β-丙氨酸钙盐 D-泛酸钙,D-calcium pantothenate,药用级 D-泛酸钙,维生素B5 本多生酸钙,维生素B5 泛酸钙 维生素B5,D-泛酸钙 维生素B5(D-泛酸钙)
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英文别名:
Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate CALCIUM D-(+)-PANTOTHENATE CALCIUM D-PANTOTHENATE CALCIUM (+)-PANTOTHENATE CALCIUM PANTOTHENATE D-CALCIUM PANTATHENATE D-CALCIUM PANTHOTENA D-(+)-CALCIUM PANTOTHENATE D-CALCIUM PANTOTHENATE DL-VITAMIN B CALCIUM SALT D[+]-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-B-ALANINE D-N-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL)-B-ALANINE CALCIUM SALT D[+]-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-B-ALANINE HEMICALCIUM SALT D(+)-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-BETA-ALANINE D(+)-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-BETA-ALANINE HEMICALCIUM SALT D-PANTOTHENIC ACID, CALCIUM D-PANTOTHENIC ACID CALCIUM SALT D(+)-PANTOTHENIC ACID HEMICALCIUM SALT D-PANTOTHENIC ACID HEMICALCIUM SALT D-VITAMIN B CALCIUM SALT D-(+)-Pantothenic acid calcium salt Calcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)-propanoate Calcium d panththenate Calcium-d-pantothenate D-Pantothenic acid (hemicalcium salt) Pantothenic Acid Pantothenic Acid Hem VITAMIN B5 (AS) PrintBack VITAMIN B5(CALCIUM PANTOTHENATE)(P) VITAMIN B5(CALCIUM PANTOTHENATE)(RG) VitaminB-5[Calciumpantothenate] VB5 (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine calcium salt Calpan calpanate DL-Calcium dl-calcium pantothenate pancal panthoject Pantholin VITAMIN B3 VITAMIN B5 Vitamin B5 calcium salt
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国际标准相关数据

EINECS : 205-278-9

MDL : MFCD00002766

PSA : 191.72000

LogP : -1.45900

精确分子量 : 476.16800

物化性质
生产方法和用途

用途 :

作食品强化剂。可用于婴幼儿食品,使用量为15~28mg/kg;在饮液中为2~4mg/kg。
生化研究;组织培养基的营养成分。临床用于治疗维生素B缺乏症,周围神经炎,手术后肠绞痛。
本品为维生素类药物,是辅酶A的组成部分。在混旋泛酸钙中,只有右旋体具有维生素活性,参与蛋白质、脂肪、糖在体内的新陈代谢。用于维生素B缺乏症及周围神经炎,以及手术后的肠绞痛。与维生素C合用可治疗播散性红斑狼疮。人体缺乏泛酸钙具有如下症状:(1)生长停止,体重减少,突然死亡。(2)皮肤、毛发障碍。(3)神经系统障碍。(4)消化器官失常,肝功能障碍。(5)影响抗体形成。(6)副肾障碍。每天人体需要泛酸钙(以泛酸计)约5mg。泛酸钙作为营养增补剂,用于食品加工。除特殊营养食品外,使用量须在1%(以钙计)以下(日本)。奶粉强化时为10mg/100g。烧酒、威士忌酒中添加0.02%可增强风味。蜂蜜中添加0.02%可防止冬季结晶。能缓冲咖啡因及糖精等的苦味。
生物合成辅酶A的前提物质,由于泛酸的易潮解等不稳定特性,故用钙盐作替代物。

方法 :

T,NMR,Rotation
以异丁醛等为原料,经羟甲基化、加成、水解、酸化、内酯化、酰化而得,将甲醛和无水碳酸钾投入反应锅,在14-20℃下滴加异丁醛,加完后保温搅拌反应3h,然后在14-18℃下静置0.5h,得上层油状物2,2-二甲基-3-羟基丙醛。将2,2-二甲基-3-羟基丙醛溶于4倍的水,氰化钠溶于6倍的水,氯华钙溶于2倍的水,并依次将上述溶液加入反应锅,在搅拌下加入50%的硫酸溶液,于60-65℃时反应6h,再升温至80-85℃反应3h,减压浓缩至稠厚为止,加入95%的乙醇使无机盐沉淀滤去,滤液减压蒸馏回收乙醇后,收集130-145℃(1.33-2.39Kpa)馏分,即γ-丁内酯。依次将β-氨基丙酸、5/6的甲醇和石灰加入反应器,升温至40℃,并搅拌反应2h。反应液静置后将上层清液压滤。锅内固体残渣再用1/6的甲醇洗涤后压滤。滤液置于另一反应锅,加入γ-丁内酯搅拌溶解,在室温下放置40h反应生成泛酸钙。加水搅拌后冷却至-5-0℃,并加入晶种搅拌结晶24h,过滤得消旋泛酸钙。将2/3量的消旋泛酸钙和左旋泛酸钙投入反应锅,加入甲醇和水,加热至40℃搅拌溶解,并趁热过滤,滤液冷却至15℃,加入少量左旋泛酸钙晶种,育晶2h。当比旋光度达+6°-+8°后,分离结晶,并用少量甲醇洗涤,得左旋泛酸钙(仍用于拆分)。将其余1/3的消旋泛酸钙搅拌溶解在35-40℃的滤液中,过滤后冷却至15℃,加入少量右旋泛酸钙晶种,育晶2h。当比旋光度-0.8°- -0.6°时分离出结晶,并用少量甲醇洗涤,真空干燥得右旋泛酸钙。
β-氨基丙酸钙与α-羟基β,β-二甲基-γ-丁丙酯经加热缩合制得。
将甲醛和无水碳酸钾投入反应锅,在14~20℃下滴加异丁醛,加完后保温搅拌反应3h;然后在14~18℃下静置0.5h,得上层油状物2,2-二甲基-3-羟基丙醛。将2,2-二甲基-3-羟基丙醛溶于4倍的水,氰化钠溶于6倍的水,氯化钙溶于2倍的水,并依次将上述溶液加入反应锅;在搅拌下加入50%的硫酸溶液,于60~65℃时反应6h,再升温至80~85℃反应3h;减压浓缩至稠厚为止,加入95%的乙醇使无机盐沉淀滤去;滤液减压蒸馏回收乙醇后,收集130~145℃(1.33~2.39kPa)馏分,即γ-丁内酯。依次将β-氨基丙酸、5/6的甲醇和石灰加入反应器,升温至40℃,并搅拌反应2h;反应液静置后将上层清液压滤,锅内固体残渣再用1/6的甲醇洗涤后压滤;滤液置于另一反应锅,加入γ-丁内酯搅拌溶解,在室温下放置40h反应生成泛酸钙。加水搅拌后冷却至O~-5℃,并加入晶种搅拌结晶24h,过滤得消旋泛酸钙。将2/3量的消旋泛酸钙和左旋泛酸钙投入反应锅,加入甲醇和水加热至40℃搅拌溶解,并趁热过滤,滤液冷却至15℃,加入少量左旋泛酸钙晶种,育晶2h;当比旋光度达+6°~+8°后,分离结晶,并用少量甲醇洗涤得左旋泛酸钙(仍用于拆分);将其余1/3的消旋泛酸钙搅拌溶解在35~40℃的滤液中,过滤后冷却至15℃,加入少量右旋泛酸钙晶种,育晶2h;当比旋光度-0.6°~-0.8。时分离出结晶,并用少量甲醇洗涤、真空干燥得右旋泛酸钙。
由异丁醛经甲醛羟甲基化、加成、水解、酸化、内酯化、酰化、加成而得。

安全术语

安全术语 : S24/25

WGK Germany : 1

RTECS号 : RU4375000

安全说明 : S24/25

海关编码 : 2936240000

危险品标志 : Xn

风险术语 : R20/21/22

化合物详情

维生素b5物理化学性质

外观性状:白色结晶(甲醇),有吸湿性。
折射率:27 ° (C=5, H2O)
熔点: 190°C
比旋光度: 26.5° (c=5, in water)

维生素b5产品用途和应用领域

用途一:作食品强化剂。可用于婴幼儿食品,使用量为15~28mg/kg;在饮液中为2~4mg/kg。
用途二:生化研究;组织培养基的营养成分。临床用于治疗维生素B缺乏症,周围神经炎,手术后肠绞痛。
用途三:本品为维生素类药物,是辅酶A的组成部分。在混旋泛酸钙中,只有右旋体具有维生素活性,参与蛋白质、脂肪、糖在体内的新陈代谢。用于维生素B缺乏症及周围神经炎,以及手术后的肠绞痛。与维生素C合用可治疗播散性红斑狼疮。人体缺乏泛酸钙具有如下症状:(1)生长停止,体重减少,突然死亡。(2)皮肤、毛发障碍。(3)神经系统障碍。(4)消化器官失常,肝功能障碍。(5)影响抗体形成。(6)副肾障碍。每天人体需要泛酸钙(以泛酸计)约5mg。泛酸钙作为营养增补剂,用于食品加工。除特殊营养食品外,使用量须在1%(以钙计)以下(日本)。奶粉强化时为10mg/100g。烧酒、威士忌酒中添加0.02%可增强风味。蜂蜜中添加0.02%可防止冬季结晶。能缓冲咖啡因及糖精等的苦味。
用途四:生物合成辅酶A的前提物质,由于泛酸的易潮解等不稳定特性,故用钙盐作替代物。

维生素b5制备方法

方法一:以异丁醛等为原料,经羟甲基化、加成、水解、酸化、内酯化、酰化而得,
将甲醛和无水碳酸钾投入反应锅,在14-20℃下滴加异丁醛,加完后保温搅拌反应3h,然后在14-18℃下静置0.5h,得上层油状物2,2-二甲基-3-羟基丙醛。
将2,2-二甲基-3-羟基丙醛溶于4倍的水,氰化钠溶于6倍的水,氯华钙溶于2倍的水,并依次将上述溶液加入反应锅,在搅拌下加入50%的硫酸溶液,于60-65℃时反应6h,再升温至80-85℃反应3h,减压浓缩至稠厚为止,加入95%的乙醇使无机盐沉淀滤去,滤液减压蒸馏回收乙醇后,收集130-145℃(1.33-2.39Kpa)馏分,即γ-丁内酯。
依次将β-氨基丙酸、5/6的甲醇和石灰加入反应器,升温至40℃,并搅拌反应2h。反应液静置后将上层清液压滤。锅内固体残渣再用1/6的甲醇洗涤后压滤。滤液置于另一反应锅,加入γ-丁内酯搅拌溶解,在室温下放置40h反应生成泛酸钙。加水搅拌后冷却至-5-0℃,并加入晶种搅拌结晶24h,过滤得消旋泛酸钙。
将2/3量的消旋泛酸钙和左旋泛酸钙投入反应锅,加入甲醇和水,加热至40℃搅拌溶解,并趁热过滤,滤液冷却至15℃,加入少量左旋泛酸钙晶种,育晶2h。当比旋光度达+6°-+8°后,分离结晶,并用少量甲醇洗涤,得左旋泛酸钙(仍用于拆分)。将其余1/3的消旋泛酸钙搅拌溶解在35-40℃的滤液中,过滤后冷却至15℃,加入少量右旋泛酸钙晶种,育晶2h。当比旋光度-0.8°- -0.6°时分离出结晶,并用少量甲醇洗涤,真空干燥得右旋泛酸钙。
方法二:β-氨基丙酸钙与α-羟基β,β-二甲基-γ-丁丙酯经加热缩合制得。
方法三:将甲醛和无水碳酸钾投入反应锅,在14~20℃下滴加异丁醛,加完后保温搅拌反应3h;然后在14~18℃下静置0.5h,得上层油状物2,2-二甲基-3-羟基丙醛。
将2,2-二甲基-3-羟基丙醛溶于4倍的水,氰化钠溶于6倍的水,氯化钙溶于2倍的水,并依次将上述溶液加入反应锅;在搅拌下加入50%的硫酸溶液,于60~65℃时反应6h,再升温至80~85℃反应3h;减压浓缩至稠厚为止,加入95%的乙醇使无机盐沉淀滤去;滤液减压蒸馏回收乙醇后,收集130~145℃(1.33~2.39kPa)馏分,即γ-丁内酯。
依次将β-氨基丙酸、5/6的甲醇和石灰加入反应器,升温至40℃,并搅拌反应2h;反应液静置后将上层清液压滤,锅内固体残渣再用1/6的甲醇洗涤后压滤;滤液置于另一反应锅,加入γ-丁内酯搅拌溶解,在室温下放置40h反应生成泛酸钙。加水搅拌后冷却至O~-5℃,并加入晶种搅拌结晶24h,过滤得消旋泛酸钙。
将2/3量的消旋泛酸钙和左旋泛酸钙投入反应锅,加入甲醇和水加热至40℃搅拌溶解,并趁热过滤,滤液冷却至15℃,加入少量左旋泛酸钙晶种,育晶2h;当比旋光度达+6°~+8°后,分离结晶,并用少量甲醇洗涤得左旋泛酸钙(仍用于拆分);将其余1/3的消旋泛酸钙搅拌溶解在35~40℃的滤液中,过滤后冷却至15℃,加入少量右旋泛酸钙晶种,育晶2h;当比旋光度-0.6°~-0.8。时分离出结晶,并用少量甲醇洗涤、真空干燥得右旋泛酸钙。
方法四:由异丁醛经甲醛羟甲基化、加成、水解、酸化、内酯化、酰化、加成而得。

维生素b5化学品安全说明书(MSDS)

食入:不要给吃任何东西,处于昏迷状态的人。不要催吐。如果清醒和警觉,漱口牛奶或水喝2-4 cupfuls,。如果刺激症状或出现症状,寻求医疗援助。
吸入:立即从现场至空气新鲜。如果没有呼吸,进行人工呼吸。如呼吸困难,给输氧。如果出现咳嗽或其他症状寻求医疗救护。
皮肤:至少15分钟,而用大量的肥皂和水冲洗皮肤脱去被污染的衣服和鞋子。如果刺激加剧或持续,寻求医疗援助。衣物重新使用前应清洗。
眼睛:用大量的水冲洗至少15分钟,冲洗眼睛,并不时提起上下眼睑。获得医疗救助。

维生素b5处理和储存特性

贮藏:不要存放在阳光直射的地方。保持冷藏。保持容器封闭在不使用时。储存在密闭的容器中。储存于阴凉,干燥,通风良好的地方远离不相容物质。存储受保护的湿气。存储受保护的光线和空气。
处理:操作后彻底清洗。进食前洗手。脱去被污染的衣服,清洗后方可重新使用。减少灰尘生成和堆积。避免与眼睛,皮肤和衣物接触。保持容器密闭。避免食入和吸入。有足够的通风条件下使用。避免接触空气和阳光。保持接触潮湿的空气和蒸汽。

MSDS

MSDS :

Name: D-(+)-Pantothenic Acid Calcium Salt Material Safety Data Sheet
Synonym: Dextrocalcium Pantothenate; Pantothenate Calciu
CAS: 137-08-6
Section 1 - Chemical Product ? MSDS Name:D-(+)-Pantothenic Acid Calcium Salt Material Safety Data Sheet
Synonym:Dextrocalcium Pantothenate; Pantothenate Calciu

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
137-08-6 DIHYDROXYDIMETHYLOXOBU 100.0 205-278-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Light sensitive.Air sensitive.Moisture sensitive.
Potential Health Effects
Eye:
Contact may cause transient eye irritation.
Skin:
May cause skin irritation. Low hazard for usual industrial handling.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Low hazard for usual industrial handling.
Inhalation:
May cause respiratory tract irritation. Low hazard for usual industrial handling.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Get medical aid if irritation or symptoms occur.
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 if cough or other symptoms appear.
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. Dusts at sufficient concentrations can form explosive mixtures with air. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Avoid contact with air and sunlight. Keep from contact with moist air and steam.
Storage:
Do not store in direct sunlight. Keep refrigerated. (Store below 4C/39F.) Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. Store protected from light and air.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 137-08-6: 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 prevent skin exposure.
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: Solid
Color: white
Odor: none reported
pH: 7.2-8.0, 5% solution
Vapor Pressure: Negligible.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 195 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble in water.
Specific Gravity/Density: Not available.
Molecular Formula: (C9H16NO5)2Ca
Molecular Weight: 476.3114

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, incompatible materials, light, dust generation, exposure to air, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 137-08-6: RU4375000 LD50/LC50:
CAS# 137-08-6: Oral, mouse: LD50 = 10 gm/kg; Oral, rat: LD50 = >10 gm/kg.
Carcinogenicity:
DIHYDROXYDIMETHYLOXOBU - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

Section 14 - TRANSPORT INFORMATION
?
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 137-08-6: 0
Canada
CAS# 137-08-6 is listed on Canada's DSL List.
CAS# 137-08-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 137-08-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

物化特性

熔点 190°C
比旋光度 26.5° (c=5, in water)

危险品标识

风险术语标识

安全术语

S24/25Avoid contact with skin and eyes.
避免与皮肤和眼睛接触。

产品用途

饲料添加剂、食品添加剂,符合药典USP28/BP2003

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