3,4-二氢香豆素

Description

BENZODIHYDROPYRONE · CAS 119-84-6 · C9H8O2. UNII NM5K1Y1BT2. Boiling Point: 522 °F at 760 mmHg (NTP, 1992); Boiling Point: 272 °C; Boiling Point: 271.00 to 272.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	119-84-6
PubChem CID	660
Molecular formula	C9H8O2
IUPAC name	3,4-dihydrochromen-2-one
UNII (FDA)	NM5K1Y1BT2
FEMA number	2381
JECFA number	1171

Computed Descriptors

Molecular Weight	148.16
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	148.052429494
Monoisotopic Mass	148.052429494
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	522 °F at 760 mmHg (NTP, 1992)
Boiling Point	272 °C
Boiling Point	271.00 to 272.00 °C. @ 760.00 mm Hg
Melting Point	77 °F (NTP, 1992)
Melting Point	25 °C
Flash Point	266 °F (NTP, 1992)
Flash Point	130 °C
Solubility	1:2.5-3.5 IN 70% ALCOHOL
Solubility	In water, 3,000 mg/l at 37 °C
Solubility	3 mg/mL at 37 °C

Physical description & handling notes

• 3,4-dihydrocoumarin is a white to pale yellow clear oily liquid with a sweet odor. Solidifies around room temperature. (NTP, 1992)
• White to light yellow liquid; Colorless solid; [HSDB] Low melting solid; mp = 24-26 deg C; [MSDSonline]
• Solid
• colourless to pale yellow liquid; coconut-like aroma
• Leaflets
• White to light yellow, oily liquid

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H302, H317 (97.4%)

Documented Uses

• Used in perfumes and flavors--has GRAS status in US; [HSDB]
• ...Used in perfumery industry for its haylike odor.
• It has GRAS status and can be used as a food flavor ingredient with a sweet caramel-like taste.
• ... In woodruff-type flavor compositions.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

dihydrocoumarin; 3,4-dihydrocoumarin; 119-84-6; hydrocoumarin; Benzodihydropyrone; melilotin; 2-chromanone; 1,2-benzodihydropyrone; melilotic lactone; Melilotine; Oxochroman; 2H-1-Benzopyran-2-one, 3,4-dihydro-; Chroman, 2-oxo-; Dihydrobenzopyrone; Usaf do-12; Coumarin, 3,4-dihydro-

Frequently Asked Questions

What are the CAS number and molecular formula of BENZODIHYDROPYRONE?

CAS 119-84-6; molecular formula C9H8O2; molecular weight — g/mol.

What other names is BENZODIHYDROPYRONE known by?

dihydrocoumarin, 3,4-dihydrocoumarin, 119-84-6, hydrocoumarin, Benzodihydropyrone, melilotin.

What is the regulatory status of BENZODIHYDROPYRONE?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is BENZODIHYDROPYRONE classified as hazardous?

Hazard statements reported: H302, H317.

What are the key physical properties of BENZODIHYDROPYRONE?

Boiling Point: 522 °F at 760 mmHg (NTP, 1992); Boiling Point: 272 °C; Boiling Point: 271.00 to 272.00 °C. @ 760.00 mm Hg; Melting Point: 77 °F (NTP, 1992).

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.