维A酸

Description

Tretinoin · CAS 302-79-4 · C20H28O2. UNII 5688UTC01R. Melting Point: 354 to 360 °F (NTP, 1992); Melting Point: 178-184; Melting Point: 180-182 °C.

Identification

CAS Registry Number	302-79-4
PubChem CID	444795
Molecular formula	C20H28O2
IUPAC name	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
UNII (FDA)	5688UTC01R

Computed Descriptors

Molecular Weight	300.4
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	300.208930132
Monoisotopic Mass	300.208930132
Topological Polar Surface Area	37.3
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	354 to 360 °F (NTP, 1992)
Melting Point	178-184
Melting Point	180-182 °C
Melting Point	181 °C
LogP	6.3
LogP	log Kow = 6.30
LogP	6.30
Collision Cross Section	182.1 Ų [M+Na]+

Physical description & handling notes

• All-trans-retinoic acid is a yellow to light-orange crystalline powder. (NTP, 1992)
• Solid
• Yellow to light-orange crystalline powder
• Crystals from ethanol
• Floral odor (powder form)
• less than 1 mg/mL at 77 °F (NTP, 1992)

GHS Hazard Classification

Reported hazard statements	H302 (29.8%), H315 (73.4%), H319 (16.5%), H335 (14.9%), H360 (72.9%), H400 (59%), H410 (58%), H411 (16%)

Documented Uses

• Antineoplastic Agents Keratolytic Agents
• Synthetic Polymer MALDI Matrix Compounds
• Use (kg; approx.) in Germany (2009): >10
• Consumption (g per capita; approx.) in Germany (2009): 0.000122
• Consumption (g per capita) in the USA (2002): 0.00129
• By oxidation of vitamin A aldehyde which may be obtained by oxidation of vitamin A.

Synonyms

Retinoic acid; tretinoin; 302-79-4; all-trans-Retinoic acid; Vitamin A acid; trans-Retinoic acid; ATRA; Aberel; Eudyna; Dermairol; Renova; all-trans-Vitamin A acid; Cordes vas; Retin A; Tretin M; all-trans-Tretinoin

Frequently Asked Questions

What are the CAS number and molecular formula of Tretinoin?

CAS 302-79-4; molecular formula C20H28O2; molecular weight — g/mol.

What other names is Tretinoin known by?

Retinoic acid, tretinoin, 302-79-4, all-trans-Retinoic acid, Vitamin A acid, trans-Retinoic acid.

Is Tretinoin classified as hazardous?

Hazard statements reported: H302, H315, H319, H335, H360.

What are the key physical properties of Tretinoin?

Melting Point: 354 to 360 °F (NTP, 1992); Melting Point: 178-184; Melting Point: 180-182 °C; Melting Point: 181 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.