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Key Documents

D104809

Sigma-Aldrich

Dihydrocoumarin

99%

Synonym(s):

3,4-Dihydro-1-benzopyran-2-one, Benzodihydropyrone, Hydrocoumarin

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About This Item

Empirical Formula (Hill Notation):
C9H8O2
CAS Number:
Molecular Weight:
148.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.556 (lit.)

bp

272 °C (lit.)

mp

24-25 °C (lit.)

density

1.169 g/mL at 25 °C (lit.)

SMILES string

O=C1CCc2ccccc2O1

InChI

1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2

InChI key

VMUXSMXIQBNMGZ-UHFFFAOYSA-N

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Skin Sens. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

>212.0 °F - closed cup

Flash Point(C)

> 100 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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The epicutaneous maximization test.
J P Guillot et al.
Current problems in dermatology, 14, 220-247 (1985-01-01)
Jie Chen et al.
The Journal of organic chemistry, 77(2), 999-1009 (2011-12-20)
A facile and enantioselective approach toward 3,4-dihydroisocoumarin was developed. The method involved an amino-thiocarbamate catalyzed enantioselective bromocyclization of styrene-type carboxylic acids, yielding 3-bromo-3,4-dihydroisocoumarins with good yields and ee's. 3-Bromo-3,4-dihydroisocoumarins are versatile building blocks for various dihydroisocoumarin derivatives in which the
Marc Vocanson et al.
Contact dermatitis, 57(6), 361-364 (2007-11-09)
There is controversy as to whether coumarin, an ingredient in cosmetics and fragrances, is a contact allergen involved in fragrance allergy. We recently showed that the purity of coumarin is a critical parameter for its allergenicity because coumarin preparations containing
Jakub Modranka et al.
Bioorganic & medicinal chemistry, 20(16), 5017-5026 (2012-07-14)
A series of new 3-methylidenechroman-2-ones bearing various aromatic moieties and various substituents at position 4 were synthesized in a three step reaction sequence. Friedel-Crafts alkylation of phenols or naphthols using ethyl 3-methoxy-2-diethoxyphosphorylacrylate in the presence of trifluoromethanesulphonic acid gave 3-diethoxyphosphorylchromen-2-ones.
Tomohiro Doura et al.
Chemical communications (Cambridge, England), 48(10), 1565-1567 (2011-05-18)
The first dual activatable hypochlorite ((-)OCl)-sensing probe was developed, based on a new proof-of-concept design involving signal-activatable (1)H chemical probes using the triple-resonance NMR technique. The probe enabled fluorescence-(1)H MR dual turn-on detection of (-)OCl in solution and in crude

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