기본 정보
- CAS
16485-10-2- 표준 SMILES
CC(C)(CO)C(O)C(=O)NCCCO- InChIKey
SNPLKNRPJHDVJA-UHFFFAOYSA-N- 분자식
- C9H19NO4
- 평균 분자량
- 205.25 g/mol
- 단동위원소 질량
- 205.13140809
개요
Panthenol is an alcohol derivative of pantothenic acid, a component of the B complex vitamins and an essential component of a normally functioning epithelium. Panthenol exists as a racemic mixture containing both the dextrorotatory form (dexpanthenol) and the levorotatory form (levopanthenol). While pantothenic acid is optically active, only the dextrorotatory form ([DB09357]) is biologically active. Dexpanthenol, the active form of panthenol, is enzymatically cleaved to form pantothenic acid (Vitamin B5), which is an essential component of Coenzyme A that acts as a cofactor in many enzymatic reactions that are important for protein metabolism in the epithelium. Due to its good penetration and high local concentrations, dexpanthanol is used in many topical products, such as ointments and lotions for treatment of dermatological conditions to relieve itching or promote healing. Dermatological effects of the topical use of dexpanthenol include increased fibroblast proliferation and accelerated re-epithelialization in wound healing. Furthermore, it acts as a topical protectant, moisturizer, and has demonstrated anti-inflammatory properties.
이름 및 식별자
- 우선 이름
- DL-panthenol
- IUPAC
- 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
- 현지명
- DL-판테놀
- 영어명
- Panthenol
- 분자식
- C9H19NO4
- 분자량
- 205.25
이름 및 동의어
DL-Panthenolpanthenol16485-10-2DL-PantothenolDL-Pantothenyl alcoholPanthenolumPantenolPantenoloPanthenol, racemicRoota Re F Tonic2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramideDTXSID3044598
이름 더 보기
DL-판테놀PANTOTHENOLDL-PANTHENOL POWDERDL-Panthenol 99%d panthenol powderanthenol
Purple TonerWV9CM0O67ZNSC-759899DTXCID1024598ELF PermRoota Re V TonicMannitol, PanthenolAAPE Hair Ampoule
데이터베이스 식별자
- CAS
16485-10-2、81-13-0- PubChem CID
- 4678
- DTXSID
DTXSID3044598- ChEMBL
CHEMBL1371937- UNII
- WV9CM0O67Z
- EC Number
- 240-540-6
- Nikkaji
- J321.113D
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 89.8 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 182
실험 및 물리화학적 성질
Drugs
Pharmaceutical
Pharmaceuticals
Cosmetics
Cosmetic ingredients (Panthenol) -> CIR (Cosmetic Ingredient Review)
Antistatic; Hair conditioning; Skin conditioning
FragrancesFragrance Ingredient (Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-) -> IFRA transparency List
Solubility>30.8 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section150.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3044598]
물리화학적 성질
- 녹는점
- 66 · 66-69 °C (lit.)
- 끓는 점
- 118 · 118-120 °C(Press: 0.02 Torr)
- 밀도
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- 증기압
- 0.004 Pa · 0.004Pa at 25℃
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 13.03 · 13.03±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (356 of 356) of all reports.
Not Classified
Aggregated GHS information provided per 356 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (.+-.)-
REACH registered substance: Panthenol , DL-form (EC: 240-540-6)
Panthenol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
EPA Safer ChemicalChemical: DL-Panthenol
Hazard Classes and CategoriesNot Classified
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ES4316500
- 독성
- mouse,LD50,intraperitoneal,10100mg/kg (10100mg/kg),Farmaco, Edizione Scientifica. Vol. 14, Pg. 43, 1959.
- HS 번호
- 29362400
- risk_code
- 36/37/38-48-41-37/38-20/21/22
- hazard_code
- Xn
화학 및 산업
약리 정보
Pharmacodynamics
Pantothenic acid is a precursor of coenzyme A, which serves as a cofactor for a variety of enzyme-catalyzed reactions involving transfer of acetyl groups. The final step in the synthesis of acetylcholine consists of the choline acetylase transfer of acetyl group from acetylcoenzyme A to choline. Acetylcholine is the neurohumoral transmitter in the parasympathetic system and as such maintains the normal functions of the intestine. Decrease in acetylcholine content would result in decreased peristalsis and in extreme cases adynamic ileus.
Mechanism of Action
Panthenol is an alcohol derivative of pantothenic acid, a component of the B complex vitamins and an essential component of a normally functioning epithelium. Dexpanthenol, the active form of panthenol, is enzymatically cleaved to form pantothenic acid (Vitamin B5), which is an essential component of Coenzyme A that acts as a cofactor in many enzymatic reactions that are important for protein metabolism in the epithelium. Dermatological effects of the topical use of dexpanthenol include increased fibroblast proliferation and accelerated re-epithelialization in wound healing. Furthermore, it acts as a topical protectant, moisturizer, and has demonstrated anti-inflammatory properties.
용도 및 제조
UsesCIR ingredient: Panthenol
Household Products
Information on 893 consumer products that contain Panthenol in the following categories is provided:
Information on 9 consumer products that contain Panthenol, DL-form in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Fragrance Ingredients
Cosmetics -> Antistatic; Hair conditioning; Skin conditioning
General Manufacturing Information
관련 반응
1건
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