EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

hexahydrocoumarin
2H-1-benzopyran-2-one, 3,4,5,6,7,8-hexahydro-

Supplier Sponsors

Name:3,4,5,6,7,8-hexahydrochromen-2-one
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, Edge 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
 
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
 
Organoleptic Properties:
Odor Type: coconut
coconut tonka coumarinic
Odor Description:at 100.00 %. coconut tonka
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
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
 
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
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
animal
costus valerolactone
FR
6-
methyl quinoline
FL/FR
balsamic
pine needle absolute
FL/FR
caramellic
immortelle absolute
FL/FR
cheesy
2-
heptanone
FL/FR
coconut
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
delta-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
gamma-
octalactone
FL/FR
delta-
octalactone
FL/FR
propyl octanoate
FL/FR
tetrahydrojasmone
FR
delta-
undecalactone
FL/FR
wine lactone
FL/FR
coumarinic
coumane
FL/FR
phthalide
FL/FR
tonka bean oleoresin
FR
tonka bean resinoid
FR
tonka furanone
FL/FR
tonka ketone
FR
tonkavert
FR
creamy
creamy lactone
FL/FR
para-
vanillyl alcohol
FL/FR
fatty
lauric acid
FL/FR
floral
dihydrojasmone lactone
FL/FR
heliotropin
FL/FR
hexenyl cyclopentanone
FR
jasmin lactone (IFF)
FL/FR
2-
pentyl cyclopentanone
FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
methyl (Z)-5-octenoate
FL/FR
iso
propyl octanoate
FL/FR
green
alpha-
decalactone
FL/FR
syringaldehyde
FL/FR
hay
hay absolute
FR
powdery
para-
anisyl acetate
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
methyl heptadienone
FL/FR
myrtenal
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
coumarin
FR
deertongue absolute
FR
deertongue oleoresin
FR
flouve absolute
FR
gamma-
hexalactone
FL/FR
7-
methyl coumarin
CS
mint lactone
FL/FR
octahydrocoumarin
FL/FR
tonka bean absolute
FR
tonka undecanone
FR
whiskey lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
waxy
1-
dodecanol
FL/FR
methyl laurate
FL/FR
myristyl alcohol
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
coconut naphthalenone
FL/FR
coumane
FL/FR
alpha-
decalactone
FL/FR
dimethyl benzofuranone
FL
delta-2-
dodecenolactone
FL/FR
jasmin lactone (IFF)
FL/FR
lauric acid
FL/FR
7-
methoxycoumarin
FL
myristyl alcohol
FL/FR
4-
octen-3-one
FL
pine needle absolute
FL/FR
propyl octanoate
FL/FR
tonka furanone
FL/FR
(R)-
tonka furanone
FL
wine lactone
FL/FR
animal
animal
6-
methyl quinoline
FL/FR
cheesy
2-
heptanone
FL/FR
cherry
heliotropin
FL/FR
cocoa
syringaldehyde
FL/FR
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
octahydrocoumarin
FL/FR
delta-
octalactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
creamy lactone
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
dihydrocoumarin
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
delta-
undecalactone
FL/FR
para-
vanillyl alcohol
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
fatty
2-
tridecanone
FL/FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
para-
anisyl acetate
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
iso
propyl octanoate
FL/FR
green
immortelle absolute
FL/FR
methyl heptadienone
FL/FR
herbal
massoia bark oil
FL
lactonic
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
minty
myrtenal
FL/FR
soapy
1-
dodecanol
FL/FR
spicy
levisticum officinale oleoresin
FL
waxy
dihydrojasmone lactone
FL/FR
ethyl undecanoate
FL/FR
methyl laurate
FL/FR
undecanoic acid
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
None found
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