hexahydrocoumarin
2H-1-benzopyran-2-one, 3,4,5,6,7,8-hexahydro-
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      700-82-3 3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one 95%
       
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CAS Number: 700-82-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 211-851-4
FDA UNII: 23DDW3J2FU
Nikkaji Web: J38.334A
XlogP3-AA: 1.30 (est)
Molecular Weight: 152.19304000
Formula: C9 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 294.00 to  295.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 247.00 °F. TCC ( 119.44 °C. )
logP (o/w): 1.890 (est)
Soluble in:
 alcohol
 water, 652.5 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: coconut
 
 coconut  tonka  coumarinic  
Odor Description:
at 100.00 %. 
coconut tonka
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: not used anymore
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Suppliers:
BOC Sciences
For experimental / research use only.
3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one 95%
Santa Cruz Biotechnology
For experimental / research use only.
Hexahydrocoumarin
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Safety Information:
Preferred SDS: View
 
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
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Safety in Use Information:
Category: information only not used for fragrances or flavors
IFRA Critical Effect: Dermal sensitization
IFRA: View 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.
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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
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References:
 3,4,5,6,7,8-hexahydrochromen-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 700-82-3
Pubchem (cid): 69694
Pubchem (sid): 135026538
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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
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Potential Blenders and core components note
 
For Odor
animal
animal
 costus valerolactoneFR
6-methyl quinolineFL/FR
 pine needle absoluteFL/FR
caramellic
 immortelle absoluteFL/FR
cheesy
2-heptanoneFL/FR
coconut
 coconut decanone methylFR
 coconut naphthalenoneFL/FR
delta-decalactoneFL/FR
delta-2-dodecenolactoneFL/FR
delta-heptalactoneFL/FR
gamma-heptalactoneFL/FR
delta-nonalactoneFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
gamma-octalactoneFL/FR
delta-octalactoneFL/FR
 propyl octanoateFL/FR
 tetrahydrojasmoneFR
delta-undecalactoneFL/FR
 wine lactoneFL/FR
coumarinic
 coumaneFL/FR
 phthalideFL/FR
 tonka bean oleoresinFR
 tonka bean resinoidFR
 tonka furanoneFL/FR
 tonka ketoneFR
 tonkavertFR
creamy
 creamy lactoneFL/FR
para-vanillyl alcoholFL/FR
fatty
 lauric acidFL/FR
floral
 dihydrojasmone lactoneFL/FR
 heliotropinFL/FR
 hexenyl cyclopentanoneFR
 jasmin lactone (IFF)FL/FR
2-pentyl cyclopentanoneFR
fruity
 amyl heptanoateFL/FR
isoamyl octanoateFL/FR
gamma-decalactoneFL/FR
4-hydroxybenzyl alcoholFL/FR
 methyl (Z)-5-octenoateFL/FR
isopropyl octanoateFL/FR
green
alpha-decalactoneFL/FR
 syringaldehydeFL/FR
hay
 hay absoluteFR
powdery
para-anisyl acetateFL/FR
soapy
 ethyl undecanoateFL/FR
 methyl heptadienoneFL/FR
 myrtenalFL/FR
tonka
6-amyl-alpha-pyroneFL/FR
 coumarinFR
 deertongue absoluteFR
 deertongue oleoresinFR
 flouve absoluteFR
gamma-hexalactoneFL/FR
7-methyl coumarinCS
 mint lactoneFL/FR
 octahydrocoumarinFL/FR
 tonka bean absoluteFR
 tonka undecanoneFR
 whiskey lactoneFL/FR
tropical
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
waxy
1-dodecanolFL/FR
 methyl laurateFL/FR
 myristyl alcoholFL/FR
2-tridecanoneFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
 coconut naphthalenoneFL/FR
 coumaneFL/FR
alpha-decalactoneFL/FR
 dimethyl benzofuranoneFL
delta-2-dodecenolactoneFL/FR
 jasmin lactone (IFF)FL/FR
 lauric acidFL/FR
7-methoxycoumarinFL
 myristyl alcoholFL/FR
4-octen-3-oneFL
 pine needle absoluteFL/FR
 propyl octanoateFL/FR
 tonka furanoneFL/FR
(R)-tonka furanoneFL
 wine lactoneFL/FR
animal
6-methyl quinolineFL/FR
cheesy
2-heptanoneFL/FR
cherry
 heliotropinFL/FR
cocoa
 syringaldehydeFL/FR
coconut
delta-decalactoneFL/FR
(R)-massoia lactoneFL
6-methyl coumarinFL
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
 octahydrocoumarinFL/FR
delta-octalactoneFL/FR
coumarinic
 phthalideFL/FR
creamy
6-amyl-alpha-pyroneFL/FR
 creamy lactoneFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
 dihydrocoumarinFL
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
gamma-hexalactoneFL/FR
 mint lactoneFL/FR
delta-nonalactoneFL/FR
delta-undecalactoneFL/FR
para-vanillyl alcoholFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
fatty
2-tridecanoneFL/FR
fruity
 amyl heptanoateFL/FR
isoamyl octanoateFL/FR
para-anisyl acetateFL/FR
gamma-decalactoneFL/FR
4-hydroxybenzyl alcoholFL/FR
isopropyl octanoateFL/FR
green
 immortelle absoluteFL/FR
 methyl heptadienoneFL/FR
herbal
 massoia bark oilFL
lactonic
delta-heptalactoneFL/FR
gamma-heptalactoneFL/FR
gamma-octalactoneFL/FR
minty
 myrtenalFL/FR
soapy
1-dodecanolFL/FR
spicy
 levisticum officinale oleoresinFL
waxy
 dihydrojasmone lactoneFL/FR
 ethyl undecanoateFL/FR
 methyl laurateFL/FR
 undecanoic acidFL/FR
woody
 whiskey lactoneFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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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
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