泛醇三乙酸酯 | 98133-47-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 泛醇三乙酸酯
• 英文名称: 4-[(3-acetoxypropyl)amino]-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
• 英文别名: Panthenol-triacetat；(+/-)-Panthenol triacetate；3-[(2,4-diacetyloxy-3,3-dimethylbutanoyl)amino]propyl acetate
• CAS: 98133-47-2
• 化学式: C₁₅H₂₅NO₇
• 分子量: 331.366
• InChiKey: IFYVAPPYWOMVDP-UHFFFAOYSA-N

物化性质

• 沸点：
  350℃ at 101.3kPa
• 密度：
  1.141g/cm3 at 20℃
• LogP：
  0.3 at 35℃ and pH7
• 表面张力：
  64mN/m at 1g/L and 20℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 海关编码：
  2924199090

反应信息

• 作为产物：
  描述：

  乙酸乙烯酯 、 DL-泛醇 在 Novozyme 435 作用下， 以 乙腈 为溶剂， 生成 泛醇三乙酸酯 、 3-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]propyl acetate 、 3-(4-acetoxy-2-hydroxy-3,3-dimethylbutanamido)propyl acetate
  参考文献：
  名称：

  Selective synthesis of panthenyl esters by a kinetically controlled enzymatic process

  摘要：

  Panthenyl esters (panthenyl monoacetate and panthenyl diacetate) were synthesized in high yields (approximate to 100%) by a kinetic reaction control using a commercial immobilized Candida Antarctica lipase B (Novozyme 435) in acetonitrile. The enzyme showed excellent synthetic activity, regioselectivity, and operational stability under the conditions used.

  DOI：

  10.3109/10242422.2013.814644

文献信息

• COSMETIC COMPOSITION
  申请人：Knappe Thorsten

  公开号：US20100028272A1

  公开（公告）日：2010-02-04

  A cosmetic agent, in particular a styling agent, containing, in a cosmetically acceptable carrier, a) at least one copolymer A made of at least one monomer A1 selected from acrylic acid, methacrylic acid, acrylic acid alkyl esters, and methacrylic acid alkyl esters, and at least one amphoteric monomer A2 selected from (meth)acryloylalkylbetaines of formula (A2-I) and (meth)acryloylalkylamine oxides of formula (A2-II), such that in formula (A2-I) and in formula (A2-II), R 1 denotes H or CH 3 , R 2 and R 3 , mutually independently in each case, denote optionally branched C 1-10 alkyl, and n denotes an integer from 1 to 20, and b) at least one film-forming and/or setting amphoteric polymer B different from copolymer A; and use of the agents for the temporary deformation of hairs.

  一种化妆品剂，特别是一种造型剂，包含在一种在化妆上可接受的载体中，a) 至少一种由至少一种从丙烯酸、甲基丙烯酸、丙烯酸烷基酯和甲基丙烯酸烷基酯中选择的单体A1制成的共聚物A，以及至少一种从式（A2-I）的（甲基）丙烯酰烷基甜菜碱和式（A2-II）的（甲基）丙烯酰烷基胺氧中选择的两性单体A2，使得在式（A2-I）和式（A2-II）中，R1代表H或CH3，R2和R3，在每种情况下相互独立地表示可选的支链C1-10烷基，n代表1到20之间的整数，以及b) 至少一种与共聚物A不同的成膜和/或固定两性聚合物B；以及使用这些剂对头发进行暂时变形。
• HAIR TREATMENT PRODUCTS COMPRISING POLYMERS
  申请人：Schulze zur Wiesche Erik

  公开号：US20090304620A1

  公开（公告）日：2009-12-10

  The invention relates to hair treatment products, comprising at least one copolymer made of 0.1 to 50% (in relation to the total number of monomers in the copolymer) monomers of the formula (I), wherein the unknowns are defined as in claim 1 , and A2) are monomers from the group of acrylic acid, methacrylic acid and the like, and—optionally non-ionic monomers from the group of acrylamide, vinyl alcohol, and the like, wherein the monomers A2 and A3 together represent 50 to 99.9% (in relation to the total number of monomers in the copolymer) of the copolymer, at least one silicon and at least one selected care product, wherein the products result in advantageous effects for skin and hair.

  该发明涉及头发护理产品，包括至少一种由0.1至50%（相对于共聚物中单体总数的比例）的公式（I）的单体制成的共聚物，其中未知数的定义如权利要求1中定义的，以及A2）是来自丙烯酸、甲基丙烯酸等单体组的单体，以及——可选的非离子单体，来自丙烯酰胺、乙烯醇等单体组，其中单体A2和A3共同代表共聚物中50至99.9%（相对于共聚物中单体总数的比例）的单体，至少含有一种硅和至少一种选定的护理产品，其中这些产品对皮肤和头发具有有利效果。
• Water-dispersible patch containing an active agent for dermal delivery
  申请人：McEntire Edward Enns

  公开号：US20070259029A1

  公开（公告）日：2007-11-08

  A dermal patch having comprising at least two layers wherein at least one layer is a polymer matrix system having an active agent admixed therein. At least one of the layers includes a water-dispersible or water-dissipatable polymer. The dermal patch has an elongation factor of at least 50%.

  一种皮肤贴片，包括至少两层，其中至少一层是聚合物基质系统，其中混合了活性剂。至少一层包括可水分散或可水分散的聚合物。该皮肤贴片的伸长系数至少为50％。
• STABLE SOLUBLE SALTS OF PHENYLBENZIMIDAZOLE SULFONIC ACID AT PHS AT OR BELOW 7.0
  申请人：Johncock William

  公开号：US20100183531A1

  公开（公告）日：2010-07-22

  The invention concerns preparations, particularly cosmetic or pharmaceutical/dermatological preparations, containing phenylbenzimidazole sulfonic acid (i.e. 2-phenylbenzimidazole-5-sulfonic acid) neutralised with basic amino acids such as arginine, lysine, ornithine and histidine so that the pH of the preparation can be at or below 7.0 without incurring crystallisation of the phenylbenzimidazole sulfonic acid.

  本发明涉及制备含有苯基苯并咪唑磺酸（即2-苯基苯并咪唑-5-磺酸）并用基本氨基酸（如精氨酸、赖氨酸、鸟氨酸和组氨酸）中和，以使制备物的pH值可以在或低于7.0，而不会导致苯基苯并咪唑磺酸结晶的制备，特别是化妆品或制药/皮肤科制剂。
• COMPOSITIONS COMPRISING BENZYL ALCOHOL DERIVATIVES AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS
  申请人：Schmaus Gerhard

  公开号：US20110152383A1

  公开（公告）日：2011-06-23

  The present invention relates to a composition comprising or consisting of: (a) one, two or more compounds selected from the group consisting of benzyl alcohol derivatives of the formula (I) wherein each of the substituents R 1 , R 2 , and R 3 has a position at the aromatic ring, and wherein the substituents R 1 , R 2 , and R 3 independently of one another are selected from the group consisting of: H; OH; OCH 3 ; COON; linear or branched, saturated aliphatic hydrocarbon radical having 1 to 8 carbon atoms; linear or branched, unsaturated aliphatic hydrocarbon radical having 2 to 8 carbon atoms; COOR 4 , wherein R 4 is a linear or branched alkyl radical having 1 to 8 carbon atoms; wherein the total number of carbon atoms in substituents R 1 , R 2 and R 3 is 1 to 12, and (b) one, two or more compounds selected from the group consisting of: (i) branched or unbranched 1,2-alkanediols having 3 to 14 carbon atoms, (ii) benzoic acid (INCI: Benzoic Acid) and its esters and salts, (iii) 4-hydroxybenzoic acid and its esters (INCI: Parabens) and salts, (iv) 2,4-hexadienoic acid (INCI: Sorbic Acid) and its salts, (v) 2-phenoxyethanol (INCI: Phenoxyethanol) (vi) 3-iodo-2-propinyl-butylcarbamate (INCI: Iodopropynyl Butylcarbamate), (vii) 3-(4-chlorphenoxy)-1,2-propane-1,2-diol (INCI: Chlorphenesin), (viii) urea (INCI: Urea) and derivatives thereof, in particular 1,1′-methylen-bis(3-(1-hydroxymethyl-2,4-dioximidazolidin-5-yl))urea (INCI: Imidazolidinyl urea), N-hydroxymethyl-N-(1,3-di(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl)-N′-hydroxy-methylurea (INCI: Diazolidinyl Urea) and N-(4-chlorophenyl)-N′-(3,4-dichlorophenyl)-urea (INCI: Triclocarban), (ix) 1,3-bis-(hydroxymethyl)-5,5-dimethyl-2,4-imidazolidindione (INCI: DMDM hydantoin), (x) 1,2-propanediol, 3-(2-ethylhexyloxy) (INCI: Octoxyglycerin), (xi) isothiazolinones and mixtures thereof (e.g. a mixture of 5-chloro-2-methyl-3(2H)-isothiazolinone and 2-methyl-3(2H)-isothiazolinone with magnesium chloride and magnesium nitrate; INCI: Methylchloroisothiazolinone and Methylisothiazolinone).

  本发明涉及一种组合物，包括或由以下组分组成：(a) 选择自苯甲醇衍生物的一种、两种或更多化合物，该苯甲醇衍生物的式子为(I)，其中每个取代基R1、R2和R3位于芳香环上，且其中取代基R1、R2和R3相互独立地选择自以下组中的一种：H、OH、OCH3、COON、具有1到8个碳原子的线性或支链饱和脂肪烃基、具有2到8个碳原子的线性或支链不饱和脂肪烃基、COOR4，其中R4是具有1到8个碳原子的线性或支链烷基；其中取代基R1、R2和R3中碳原子的总数为1到12；(b) 选择自以下组中的一种、两种或更多化合物：(i) 具有3到14个碳原子的支链或直链1,2-烷二醇，(ii) 苯甲酸(INCI: Benzoic Acid)及其酯和盐，(iii) 4-羟基苯甲酸及其酯(INCI: Parabens)和盐，(iv) 2,4-己二烯酸(INCI: Sorbic Acid)及其盐，(v) 2-苯氧基乙醇(INCI: Phenoxyethanol)，(vi) 3-碘-2-丙烯基-丁基氨基甲酸酯(INCI: Iodopropynyl Butylcarbamate)，(vii) 3-(4-氯苯氧基)-1,2-丙二醇(INCI: Chlorphenesin)，(viii) 尿素(INCI: Urea)及其衍生物，特别是1,1'-甲基双(3-(1-羟甲基-2,4-二氧咪唑啉-5-基))尿素(INCI: Imidazolidinyl urea)，N-羟甲基-N-(1,3-二(羟甲基)-2,5-二氧咪唑啉-4-基)-N'-羟甲基尿素(INCI: Diazolidinyl Urea)和N-(4-氯苯基)-N'-(3,4-二氯苯基)-尿素(INCI: Triclocarban)，(ix) 1,3-双(羟甲基)-5,5-二甲基-2,4-咪唑啉二酮(INCI: DMDM hydantoin)，(x) 1,2-丙二醇、3-(2-乙基己氧基)(INCI: Octoxyglycerin)，(xi) 异噻唑啉酮及其混合物(例如5-氯-2-甲基-3(2H)-异噻唑啉酮和2-甲基-3(2H)-异噻唑啉酮与氯化镁和硝酸镁的混合物；INCI: Methylchloroisothiazolinone和Methylisothiazolinone)。