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hexahydrocoumarin

Chemical Structure

General Material Information

Preferred name hexahydrocoumarin
Trivial Name 3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one
Short Description 2H-1-benzopyran-2-one, 3,4,5,6,7,8-hexahydro-
Formula C9 H12 O2
CAS Number 700-82-3
ECHA Number 211-851-4
FDA UNII 23DDW3J2FU
Nikkaji Number J38.334A
xLogP3-AA 1.30 (est)
NMR Predictor External link
Synonyms
  • 2H-1-benzopyran-2-one, 3,4,5,6,7,8-hexahydro-
  • 3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2-one
  • 3,4,5,6,7,8-hexahydro-2H-chromen-2-one
  • 3,4,5,6,7,8-hexahydrochromen-2-one
  • 3,4,5,6,7,8-hexahydrocoumarin
  • 3,4,5,6,7,8-hexahydrochromen-2-one
  • 2H-1-Benzopyran-2-one, 3,4,5,6,7,8-hexahydro-
  • Coumarin, 3,4,5,6,7,8-hexahydro-
  • 3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one
  • 1-Cyclohexene-1-propanoic acid, 2-hydroxy-, δ-lactone
  • 3,4,5,6,7,8-Hexahydrocoumarin
  • Δ-1,6-2-Oxabicyclo(4.4.0)decen-3-one

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2932.29.6000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.19303894043
Boiling Point 294 to 295°C @ 760 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 119.44 °C TCC
logP (o/w) 1.89 est
Solubility
alcohol Yes
water, 652.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coconut
coconut, tonka, coumarinic
General comment At 100.00 %. coconut tonka

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
IFRA Critical Effect:
Dermal sensitization
View the IFRA Standard
Recommendation for hexahydrocoumarin usage levels up to:
PROHIBITED: Should not be used as a fragrance ingredient.
Recommendation for hexahydrocoumarin flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69694
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
3,4,5,6,7,8-hexahydrochromen-2-one
Chemidplus:0000700823