烟酰胺抗坏血酸盐 | 1987-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 烟酰胺抗坏血酸盐
• 中文别名: 抗坏血酸烟酰胺
• 英文名称: ascorbic acid,nicotinamide
• 英文别名: nicotinamide ascorbate；niacinamide ascorbate；nicotinic acid amide; compound with L-ascorbic acid；Nicotinsaeure-amid; Verbindung mit L-Ascorbinsaeure；(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;pyridine-3-carboxamide
• CAS: 1987-71-9
• 化学式: C₆H₆N₂O*C₆H₈O₆
• 分子量: 298.252
• InChiKey: JMORAWFVNMGOKQ-MGMRMFRLSA-N

物化性质

• 熔点：
  141-145°
• 比旋光度：
  D20 +27.5° (c = 8 in H2O)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• LogP：
  -2.653 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.23
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  163
• 氢给体数：
  5
• 氢受体数：
  8

SDS

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Section 1. Chemical Product and Company Identification
Niacinamide ascorbate
Common Name/
Trade Name
Niacinamide ascorbate

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Section 3. Hazards Identification
Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation.
Potential Acute Health
Effects
CARCINOGENIC EFFECTS: Not available.
Potential Chronic Health
MUTAGENIC EFFECTS: Mutagenic for bacteria and/or yeast. [Ascorbic acid]. Mutagenic for bacteria and/or yeast.
Effects
[Niacinamide].
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure is not known to aggravate medical condition.

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Section 4. First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
Eye Contact
15 minutes. Cold water may be used. Get medical attention if irritation occurs.
Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
Skin Contact
Cold water may be used.
Not available.
Serious Skin Contact
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
Inhalation
medical attention.
Not available.
Serious Inhalation
Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
Ingestion
unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention if symptoms
appear.
Not available.
Serious Ingestion

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature The lowest known value is 660°C (1220°F) (Ascorbic acid).
Not available.
Flash Points
Not available.
Flammable Limits
These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
Products of Combustion
Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat.
Non-flammable in presence of shocks.
Various Substances
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards in
Slightly explosive in presence of open flames and sparks.
Presence of Various
Substances
SMALL FIRE: Use DRY chemical powder.
Fire Fighting Media
LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
and Instructions
Material in powder form, capable of creating a dust explosion. As with most organic solids, fire is possible at elevated
Special Remarks on
temperatures
Fire Hazards
Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
Special Remarks on
explosion hazard.
Explosion Hazards
Niacinamide ascorbate

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Section 6. Accidental Release Measures
Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading
Small Spill
water on the contaminated surface and dispose of according to local and regional authority requirements.
Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on
Large Spill
the contaminated surface and allow to evacuate through the sanitary system.

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Section 7. Handling and Storage
Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
Precautions
ingest. Do not breathe dust. Wear suitable protective clothing. If ingested, seek medical advice immediately and
show the container or the label. Keep away from incompatibles such as oxidizing agents, metals, acids, alkalis.
Keep container tightly closed. Keep container in a cool, well-ventilated area. Oxygen Sensitive Sensitive to light.
Storage
Store in light-resistant containers.

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Section 8. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
Engineering Controls
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection
Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
of a Large Spill
handling this product.
Not available.
Exposure Limits

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Section 9. Physical and Chemical Properties
Solid. (Crystalline powde) Odorless.
Physical state and O dor
appearance
Not available.
Taste
Not applicable.
Molecular Weight
Lemon Yellow.
Color
Not available.
pH (1% soln/water)
Not available.
Boiling Point
141°C (285.8°F) - 145 C.
Melting Point
The lowest known value is 509.85°C (949.7°F) (Ascor bic acid).
Critical Temperature
Weighted average: 1.58 (Water = 1)
Specific Gravity
Not applicable.
Vapor Pressure
Not available.
Vapor Density
Not available.
Volatility
Not available.
Odor Threshold
The product is equally soluble in oil and water.
Water/Oil Dist. Coeff.
Not available.
Ionicity (in Water)
See solubility in water, diethyl ether, n-octanol.
Dispersion Properties
Niacinamide ascorbate
Soluble in cold water, hot water, n-octanol.
Solubility
Slightly soluble in diethyl ether.
Solubility in Water: 285000 mg/l water or 1 g/3.5 ml water.
Solubility in Alcohol: 1 g/20 ml alcohol.
Very slightly soluble in chloroform.
Sparingly soluble in Glycerine.
Virtually insoluble in Benzene.

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Section 10. Stability and Reactivity Data
The product is stable.
Stability
Not available.
Instability Temperature
Conditions of Instability Excess heat, incompatible materials, air, oxygen, dust generation.
Incompatibility with various Reactive with oxidizing agents, metals, acids, alkalis.
substances
Non-corrosive in presence of glass.
Corrosivity
Sensitive to light. Sensitive to Oxygen. Air sensitive. It may gradually darken upon exposure to air.
Special Remarks on
Reactivity
Not available.
Special Remarks on
Corrosivity
Will not occur.
Polymerization

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Section 11. Toxicological Information
Inhalation. Ingestion.
Routes of Entry
Acute oral toxicity (LD50): 2500 mg/kg [Rat].
Toxicity to Animals
Chronic Effects on Humans MUTAGENIC EFFECTS: Mutagenic for bacteria and/or yeast. [Ascorbic acid]. Mutagenic for bacteria and/or yeast.
[Niacinamide].
Other Toxic Effects on Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Humans
Special Remarks on Not available.
Toxicity to Animals
May affect genetic material (mutagenic).
Special Remarks on
Chronic Effects on Humans May cause adverse reproductive effects and birth defects (teratogenic) based on animal test data.
Human: passes through the placenta, excreted in maternal milk. (Ascorbic acid)
Special Remarks on other Acute Potential Health Effects:
Skin: May cause skin irritation.
Toxic Effects on Humans
Eyes: May cause eye irritation.
Inhalation: May cause respiratory tract irritation.
Ingestion: Ingestion of small amounts during normal industrial handling is a low hazard. Ingestion of large amounts
may cause gastrointestinal tract irritation, hypermotility, diarrhea, acidification of the urine which may cause stones in
the urinary tract and may cause renal failure . May also affect behavior (psychomotor coordination, somnolence),
eyes(lacrimation), blood (anemia).
Chronic Potential Health Effects:
Ingestion: Prolonged or repeated ingestion may affect the blood/bone marrow and cause weight loss
Niacinamide ascorbate

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Section 12. Ecological Information
Not available.
Ecotoxicity
Not available.
BOD5 and COD
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
The product itself and its products of degradation are not toxic.
Toxicity of the Products
of Biodegradation
Not available.
Special Remarks on the
Products of Biodegradation

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Section 13. Disposal Considerations
Waste must be disposed of in accordance with federal, state and local environmental control
Waste Disposal
regulations.

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Section 14. Transport Information
Not a DOT controlled material (United States).
DO T Cl assi fi cati on
Not applicable.
Identification
Not applicable.
Special Provisions for
Transport
DO T (Pi ctograms)

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Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California prop. 65: This product contains the following ingredients for which the State of California has found to
California
cause cancer which would require a warning under the statute: No products were found.
Proposition 65
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has found to
cause birth defects which would require a warning under the statute: No products were found.
Other Regulations For CAS no. 1987-71-9:
EINECS: This product is not on the European Inventory of Existing Commercial Chemical Substances.
Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non- Domestic Substance List (NDSL).
China: Not listed on National Inventory.
Japan: Not listed on National Inventory (ENCS).
Korea: Not listed on National Inventory (KECI).
Philippines: Not listed on National Inventory (PICCS).
Australia: Not listed on AICS.
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
This product is not classified according Not applicable.
DSCL (EEC)
to the EU regulations.
HMIS (U.S.A.) Health Hazard 1 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
1 0 Reactivity
Health
Reactivity 0
Specific hazard
Personal Protection
E
Niacinamide ascorbate
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG(Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or equivalent.
Niacinamide ascorbate
All chemicals may pose unknown hazards and should be used withcaution. This Material Safety Data Sheet (MSDS) applies only to the material as packaged. If this product is combined with other materials,
deteriorates, or becomes contaminated, it may pose hazards not mentioned inthis MSDS. It shall be the user's responsibility to develop proper methods of handling and personal protection based onthe actual

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

Nicotinamide ascorbate是一种活性化学物质。

反应信息

• 作为产物：
  描述：

  烟酰胺 、 维生素 C 以 甲醇 为溶剂， 以33%的产率得到烟酰胺抗坏血酸盐
  参考文献：
  名称：

  pH-Switchable vitamin B₉gels for stoichiometry-controlled spherical co-crystallization

  摘要：

  可回收的VB9凝胶可用于控制共晶的化学计量比，从而得到四种化学计量比的维生素C共晶的分离。

  DOI：

  10.1039/c6cc07701c

文献信息

• COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S)
  申请人：SCHMAUS Gerhard

  公开号：US20160008297A1

  公开（公告）日：2016-01-14

  The present invention primarily relates to the use of one or more specific compounds and/or one or more respective salt(s) thereof for preventing, reducing or alleviating itchy skin condition(s), and/or as PAR-2 antagonist. Furthermore, the present invention relates to compositions (products or, respectively, formulations), in particular for topical administration, preferably cosmetic or pharmaceutical compositions, in particular for preventing, reducing or alleviating one or more itchy skin conditions and/or for providing a PAR-2 antagonistic effect, comprising or consisting of an effect amount of such compound(s) and/or salt(s) and one or more cosmetically and/or pharmaceutically acceptable carriers.

  本发明主要涉及使用一种或多种特定化合物和/或其一个或多个相应盐来预防、减少或缓解瘙痒皮肤状况，和/或作为PAR-2拮抗剂。此外，本发明涉及组合物（产品或相应的配方），特别是用于局部给药，优选为化妆品或药用组合物，特别是用于预防、减少或缓解一种或多种瘙痒皮肤状况和/或产生PAR-2拮抗作用的组合物，包括或由效果量的这种化合物和/或盐以及一个或多个化妆品和/或药用可接受载体组成。
• [EN] SALTS OF NICOTINIC ACID AND NICOTINAMIDE AS ANTI-AGING AGENTS<br/>[FR] SELS D'ACIDE NICOTINIQUE ET DE NICOTINAMIDE EN TANT QU'AGENTS ANTI-ÂGE
  申请人：JUMPSTART FERTILITY PTY LTD

  公开号：WO2020028684A1

  公开（公告）日：2020-02-06

  The present invention relates to amino acid salts of nicotinic acid and nicotinamide and compositions thereof of Formula I, useful in the treatment of disorders and diseases associated with deficiencies in NAD+: (I) wherein J, M1, R1, and k are as described herein.

  本发明涉及烟酸和烟酰胺的氨基酸盐及其组合物，其化学式为I，用于治疗与NAD+缺乏相关的疾病和紊乱：（I）其中J、M1、R1和k如本文所述。
• 3-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone and its use in cosmetic and pharmaceutical preparations
  申请人：Schmaus Gerhard

  公开号：US20090208434A1

  公开（公告）日：2009-08-20

  The present invention concerns applications of the compound of formula 1 in cosmetic or pharmaceutical preparations.

  本发明涉及化合物1的在化妆品或药物制剂中的应用。
• COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT
  申请人：Vielhaber Gabriele

  公开号：US20120121737A1

  公开（公告）日：2012-05-17

  The present invention primarily relates to the use of trans-tert-butyl cyclohexanol as skin irritation-reducing agent as well as compositions (formulations) having a skin irritation-reducing action comprising trans-tert-butyl cyclohexanol as skin irritation-reducing agent.

  本发明主要涉及将叔丁基环己醇转化为皮肤刺激减少剂的用途，以及包含叔丁基环己醇作为皮肤刺激减少剂的具有皮肤刺激减少作用的组合物（制剂）。
• Pharmaceutical formulations containing gamma amino butyric acid, an anti-oxidant, folic acid, nicotinamide and a lithium salt
  申请人：Bleiweiss, Herman

  公开号：EP0836849A2

  公开（公告）日：1998-04-22

  Formulations are provided for the treatment of patients suffering from disorders that have in common the appearance of muscular hypotonia as a symptom. These disorders include Alzheimer's type diseases, atrophy of the brain, atrophy of the cerebellum, Fragile X syndrome, mental retardation of unknown causes, multiple anomalies in the chromosomes, deletions in one or more chromosome, and fragility in a chromosome other than the X chromosome. The formulations of the invention contain therapeutically effective amounts of gamma amino butyric acid (GABA), an anti-oxidant (such as ascorbic acid and/or vitamin E), folic acid, nicotinamide, and a lithium salt, all in a pharmaceutically acceptable excipient. Methods for the treatment of these disorders by the administration of such formulations are also provided.

  本制剂用于治疗以肌肉张力低下为共同症状的疾病患者。这些疾病包括阿尔茨海默氏症、脑萎缩、小脑萎缩、脆性 X 综合征、原因不明的智力低下、染色体多发性异常、一条或多条染色体缺失、X 染色体以外的染色体脆性。本发明的制剂含有治疗有效量的γ-氨基丁酸（GABA）、抗氧化剂（如抗坏血酸和/或维生素E）、叶酸、烟酰胺和锂盐，所有制剂均为药学上可接受的赋形剂。还提供了通过服用此类制剂治疗这些疾病的方法。