Dexpanthenol (81-13-0),Dexpanthenol (81-13-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Dexpanthenol
CAS No.:
81-13-0
Molecular Structure:
Formula:
C₉H₁₉NO₄
Molecular Weight:
205.25
Deleted CAS:
17307-32-3|1113-70-8
Synonyms:
Butanamide,2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (R)-;Butyramide,2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, D-(+)- (8CI);(+)-Panthenol;Alcopan 250;Bepanthen;Bepanthene;Cornergel;Cozyme;D(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide;D(+)-Panthenol;D(+)-Pantothenyl alcohol;D(+)-a,g-Dihydroxy-N-(3-hydroxypropyl)-b,b-dimethylbutyramide;D-Panthenol;D-Pantothenyl alcohol;Butanamide,2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (2R)-;Dolobene;Ilopan;Intrapan;Motilyn;Panadon;Pantenyl;Panthenol 50W;Panthenol, (+)-;Pantol;Pantothenyl alcohol;Provitamin B;Thenalton;Urupan;Zentinic;d-Pantothenol;
EINECS:
201-327-3
Density:
1.166 g/cm³
Boiling Point:
483.6 °C at 760 mmHg
Flash Point:
246.3 °C
Solubility:
Soluble in water
Appearance:
clear colorless to slightly yellow viscous liquid
Hazard Symbols:
Xn
Risk Codes:
36/37/38-48-41-37/38-20/21/22
Safety Description:
23-24/25-45-36/37/39-26-22 Details

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Chemistry

Molecule structure of Dexpanthenol (CAS NO.81-13-0):

IUPAC Name: 2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Molecular Weight: 205.25146 g/mol
Molecular Formula: C₉H₁₉NO₄
Density: 1.166 g/cm³
Boiling Point: 483.6 °C at 760 mmHg
Flash Point: 246.3 °C
Index of Refraction: 1.501
Molar Refractivity: 51.89 cm³
Molar Volume: 175.9 cm³
Surface Tension: 49.1 dyne/cm
Enthalpy of Vaporization: 86.28 kJ/mol
Vapour Pressure: 2.21E-11 mmHg at 25 °C
Storage Temp.: −20 °C
Water Solubility: soluble
Sensitive: hygroscopic
XLogP3-AA: -0.9
H-Bond Donor: 4
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 205.131408
MonoIsotopic Mass: 205.131408
Topological Polar Surface Area: 89.8
Heavy Atom Count: 14
Canonical SMILES: CC(C)(CO)C(C(=O)NCCCO)O
InChI: InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
InChIKey: SNPLKNRPJHDVJA-UHFFFAOYSA-N
EINECS: 201-327-3
Product Categories: Pharmaceutical Intermediates;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts

Uses

Dexpanthenol (CAS NO.81-13-0) has good skin penetration in ointment. In cosmetics, Dexpanthenol is a humectant, emollient and moisturizer. It is also used as pharmaceutical intermediates.

Toxicity Data With Reference

1.	skn-rbt 500 mg/4H MLD	JACTDZ Journal of the American College of Toxicology. 6 (1)(1987),139.
2.	eye-rbt 500 µg MLD	JACTDZ Journal of the American College of Toxicology. 6 (1)(1987),139.
3.	orl-mus LD50:15 g/kg	JACTDZ Journal of the American College of Toxicology. 6 (1)(1987),139.
4.	ipr-mus LD50:9 g/kg	FRPSAX Farmaco, Edizione Scientifica. 14 (1959),43.
5.	ivn-mus LD50:7000 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),599.
6.	ivn-rbt LD50:4000 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),599.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 36/37/38-48-41-37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R48:Danger of serious damage to health by prolonged exposure.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 23-24/25-45-36/37/39-26-22
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
WGK Germany: 1
RTECS: ES4316000
F: 3-10
Moderately toxic by intravenous route. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NO_x. See also AMIDES.

Specification

Dexpanthenol (CAS NO.81-13-0) is also named as (+)-Panthenol ; (R)-2,4-Dihydroxy-N-(3-hydroxy-propyl)-3,3-
dimethylbutanamide ; 2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide ; (R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide, D-(+)- ; 4-04-00-01652 (Beilstein Handbook Reference) ; Alcopan-250 ; BAY 81-2996 ; BRN 1724947 ; Bepanthen ; Bepanthene ; D(+)-Pantothenyl alcohol ; D(+)-alpha,gamma-Dihydroxy-N-(3-hydroxypropyl)-beta,beta-dimethylbutyramide ; D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide ; D-P-A Injection ; Intrapan ; Motilyn ; NSC 302962 ; Panadon ; Pantenyl ; Thenalton ; UNII-1O6C93RI7Z ; Urupan ; Varitan ; Zentinic ; alpha,gamma-Dihydroxy-N-(3-hydroxypropyl)-beta,beta-dimethylbutyramide, D-(+)- ; d(+)-Panthenol ; d-Pantothenol ; d-Pantothenyl alcohol . Dexpanthenol (CAS NO.81-13-0) is clear colorless to slightly yellow viscous liquid. It is soluble in water, alcohol and propylene glycol, soluble in ether and chloroform, and slightly soluble in glycerin.