迷迭香酸

Description

Rosmarinic acid · CAS 20283-92-5 · C18H16O8. UNII MQE6XG29YI. Melting Point: 171-175 °C; Density: 1.547 g/cu cm; Collision Cross Section: 172.6 Ų [M-H]-.

Identification

CAS Registry Number	20283-92-5
PubChem CID	5281792
Molecular formula	C18H16O8
IUPAC name	(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
UNII (FDA)	MQE6XG29YI

Computed Descriptors

Molecular Weight	360.3
XLogP3	2.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	360.08451746
Monoisotopic Mass	360.08451746
Topological Polar Surface Area	145
Heavy Atom Count	26
Formal Charge	0

Physical & Chemical Properties

Melting Point	171-175 °C
Density	1.547 g/cu cm
Collision Cross Section	172.6 Ų [M-H]-

Physical description & handling notes

• Solid
• Crystalline solid
• Soluble in ethanol, DMSO or dimethyl formamide to approximately 25 mg/mL
• 170.26 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 195.6 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 169.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Soothing; Antioxidant
GHS notification summary	5.6% (4 / 72)

GHS Hazard Classification

GHS notification summary	5.6% (4 / 72)
Reported hazard statements	H301 (94.4%), H400 (94.4%)

Documented Uses

• In folk medicine, /rosemary/ is used as an antispasmodic in renal colic and dysmenorrhoea, in relieving respiratory disorders and to stimulate growth of hair.
• Used as a food flavoring, beverage, food preservative and as a cosmetic; used in herbal supplements with reported properties including anti-oxidant, anti-inflammatory, anti-viral and use in treating Alzheimer Disease
• Cosmetics -> Soothing; Antioxidant
• One of the major polyphenolic ingredients of Perillae Herba (a leaf of Perilla frutescens), and has an antidepressant-like property in animal models of depression.
• Rosemary (Rosmarinus officinalis Linn.) is a common household plant grown in many parts of the world.
• Rosmarinic acid is one of the polyphenolic substances contained in culinary herbs such as perilla (Perilla frutescens L.), rosemary (Rosmarinus officinalis L.), sage (Salvia officinalis L.), mint (Mentha arvense L.), and basil (Ocimum basilicum L.). These herbs are commonly grown in the garden as kitchen herbs, and while used to add flavor in cooking, are also known to have several potent physiological effects.

Synonyms

rosmarinic acid; 20283-92-5; Rosemary acid; Labiatic acid; trans-Rosmarinic acid; MQE6XG29YI; ORISTRACT ROA; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid; (2r)-3-(3,4-Dihydroxyphenyl)-2-{[(2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoyl]oxy}propanoic Acid; RM-21A; NPLC-0542; DTXSID20896987; R-(+)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)propionic acid; CINNAMIC ACID, 3,4-DIHYDROXY-, 2-ESTER with 3-(3,4-DIHYDROXYPHENYL)LACTIC ACID; CHEBI:17226; Acid, Rosemary

Frequently Asked Questions

What are the CAS number and molecular formula of Rosmarinic acid?

CAS 20283-92-5; molecular formula C18H16O8; molecular weight — g/mol.

What other names is Rosmarinic acid known by?

rosmarinic acid, 20283-92-5, Rosemary acid, Labiatic acid, trans-Rosmarinic acid, MQE6XG29YI.

What is the regulatory status of Rosmarinic acid?

Documented regulatory listings: CIR / INCI: Soothing; Antioxidant.

Is Rosmarinic acid classified as hazardous?

5.6% of GHS notifications report no hazard classification (4 of 72).

What are the key physical properties of Rosmarinic acid?

Melting Point: 171-175 °C; Density: 1.547 g/cu cm; Collision Cross Section: 172.6 Ų [M-H]-.

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.