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BENZODIHYDROPYRONE

CAS 119-84-6C9H8O2MW 148.16

BENZODIHYDROPYRONE (CAS 119-84-6) — formula C9H8O2, molecular weight 148.16; category organic chemicals.

Specifications

CAS Number119-84-6
Molecular FormulaC9H8O2
Molecular Weight148.16
Melting Point77 °F (NTP, 1992)
Boiling Point522 °F at 760 mmHg (NTP, 1992)
LogP1.6
CategoryOrganic Chemicals

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What this product is

BENZODIHYDROPYRONE is a carbon-based organic compound with CAS registry number 119-84-6 and molecular formula C9H8O2 (molecular weight 148.16), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 119-84-6

Its molecular formula C9H8O2 comprises 9 C, 8 H, 2 O atoms.

Also known as: BENZODIHYDROPYRONE · dihydrocoumarin

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of BENZODIHYDROPYRONE?

The CAS registry number of BENZODIHYDROPYRONE is 119-84-6.

What is the molecular formula and molecular weight of BENZODIHYDROPYRONE?

Molecular formula C9H8O2, molecular weight 148.16.

What other names is BENZODIHYDROPYRONE known by?

It is also registered under: BENZODIHYDROPYRONE, dihydrocoumarin.

Which category does BENZODIHYDROPYRONE belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for BENZODIHYDROPYRONE (CAS 119-84-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH302, H317 (97.4%)

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Regulatory listings

Regulatory & Food ContactEU 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

Physical description and 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

Reported physical properties

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

How this substance is indexed

CAS Registry Number119-84-6
PubChem CID660
分子式C9H8O2
IUPAC 名称3,4-dihydrochromen-2-one
UNII(FDA)NM5K1Y1BT2
FEMA 编号2381
JECFA 编号1171

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

Names this substance appears under

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-

Computed molecular descriptors

分子量148.16
XLogP31.6
氢键供体数0
氢键受体数2
可旋转键数0
精确质量148.052429494
单同位素质量148.052429494
拓扑极性表面积26.3
重原子数11
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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