menthadienyl formate
isobergamate
 
Notes:
None found
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    • Associate Allied Chemicals
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      Product(s):
      09-54450 2-(4-ISOPROPYLCYCLOHEXADIENYL)ETHYL FORMATE
       
Synonyms   Articles   Notes   Search
2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate (Click)
CAS Number: 68683-20-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 272-066-0
XlogP3-AA: 2.60 (est)
Molecular Weight: 194.27386000
Formula: C12 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99000 to 0.99700 @  25.00 °C.
Pounds per Gallon - (est).: 8.238 to  8.296
Refractive Index: 1.48400 to 1.49000 @  20.00 °C.
Boiling Point: 271.00 to  272.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.007000 mm/Hg @ 25.00 °C. (est)
Vapor Density: 6.7 ( Air = 1 )
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.469 (est)
Soluble in:
 alcohol
 water, 11.35 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl formate
amyl formate
isoamyl formate
para-anisyl formate
benzyl formate
bornyl formate
isobornyl formate
butyl formate
isobutyl formate
sec-butyl formate
carvyl formate
cedryl formate
cinnamyl formate
citronellyl formate
para-cresyl formate
cyclododecyl formate
cyclohexyl formate
2-decalinyl formate
decyl formate
dimethyl benzyl carbinyl formate
ethyl formate
eugenyl formate
isoeugenyl formate
furfuryl formate
S-furfuryl thioformate
geranyl formate
heptyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
hexyl formate
linalyl formate
menthyl formate
laevo-menthyl formate
2-methyl butyl formate
methyl formate
myrtenyl formate
neryl formate
nonisyl formate
nonyl formate
nopyl formate
octyl formate
3-octyl formate
phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
prenyl formate
propyl formate
isopropyl formate
isopulegyl formate
rhodinyl formate
styralyl formate
sulfuryl formate
terpinyl formate
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 sweet  floral  fruity  herbal  minty  
Odor Description:
at 100.00 %. 
sweet floral fruity herbal minty
Substantivity: 8 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Associate Allied Chemicals
Iso Bergamat
About
BOC Sciences
For experimental / research use only.
4-(isopropyl)cyclohexadiene-1-ethyl formate
Penta International
2-(4-ISOPROPYLCYCLOHEXADIENYL)ETHYL FORMATE
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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:
oral-rat LD50  3568 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 75S, 1992.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 75S, 1992.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Critical Effect: Sensitization
IFRA fragrance material specification:
 Should not be used such that the level in finished cosmetic products exceeds 0.1 %. Based on tests showing sensitisation (IFRA guidelines).
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
0.03 % (1)
Category 2:  0.04 %
Category 3:  0.10 %
Category 4:  0.10 %
Category 5:  0.10 %
Category 6:  0.80 % (1)
Category 7:  0.08 %
Category 8:  0.10 %
Category 9:  0.10 %
Category 10:  0.10 %
Category 11: See Note (2)
 Notes:
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

 
Recommendation for menthadienyl formate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 68683-20-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 111516
National Institute of Allergy and Infectious Diseases: Data
SCCNFP: opinion
WGK Germany: 2
 2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate
Chemidplus: 0068683205
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References:
 2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68683-20-5
Pubchem (cid): 111516
Pubchem (sid): 135067336
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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: 2915.13.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 decanal (aldehyde C-10)FL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
balsamic
isoamyl benzoateFL/FR
 benzophenoneFL/FR
 cinnamyl alcoholFL/FR
 ethyl cinnamateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 grapefruit oil c.p. californiaFL/FR
 grapefruit pentanolFR
 lemon oil c.p. californiaFL/FR
 lime oil distilled mexicoFL/FR
 litsea cubeba fruit oilFL/FR
blood orange oil italyFL/FR
sweet orange peel oil c.p. brazilFL/FR
 tetrahydromyrcenolFR
fatty
 decanolFL/FR
floral
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
 citronellolFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dimethyl anthranilateFL/FR
 floral pyranolFR
 gardenia oxideFR
 geraniolFL/FR
 heliotropyl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
laevo-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 methyl dihydrojasmonateFL/FR
 muguet octadienolFR
 nerolFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 peony alcoholFR
 petitgrain oil paraguayFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 tetrahydrolinaloolFL/FR
 violet methyl carbonateFR
 ylang ylang flower oilFL/FR
fruity
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
isoamyl acetateFL/FR
isoamyl butyrateFL/FR
isoamyl isovalerateFL/FR
 benzyl propionateFL/FR
gamma-decalactoneFL/FR
 ethyl heptanoateFL/FR
 green acetateFR
 raspberry ketoneFL/FR
para-tolualdehydeFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 cortex pyridineFL/FR
isocyclocitral (IFF)FL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum oilFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
 styralyl acetateFL/FR
 violet leaf absoluteFL/FR
herbal
 clary sage oil franceFL/FR
 dihydroterpinyl acetateFL/FR
 linalyl acetateFL/FR
alpha-terpinyl acetateFL/FR
mossy
 veramoss (IFF)FR
powdery
para-anisyl alcoholFL/FR
spicy
 clove bud oilFL/FR
 elettaria cardamomum seed oilFL/FR
sweet
 vanilla bean absolute (vanilla planifolia)FL/FR
terpenic
alpha-terpineolFL/FR
tonka
 tonka bean absoluteFR
vanilla
 vanillyl acetateFL/FR
woody
 patchouli ethanoneFR
 santallFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
isocyclocitral (IFF)FL/FR
 dihydroterpinyl acetateFL/FR
2,4-ivy carbaldehydeFL/FR
laevo-linaloolFL/FR
para-tolualdehydeFL/FR
aldehydic
 decanolFL/FR
 nonanolFL/FR
balsamic
 ethyl cinnamateFL/FR
citrus
 benzophenoneFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 grapefruit oil c.p. californiaFL/FR
 lemon oil c.p. californiaFL/FR
 lime oil distilled mexicoFL/FR
 linaloolFL/FR
 litsea cubeba fruit oilFL/FR
 nerolFL/FR
blood orange oil italyFL/FR
sweet orange peel oil c.p. brazilFL/FR
 petitgrain oil paraguayFL/FR
alpha-terpineolFL/FR
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fatty
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 bois de rose oil brazilFL/FR
 citronellolFL/FR
 geraniolFL/FR
 heliotropyl acetateFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 tetrahydrolinaloolFL/FR
 ylang ylang flower oilFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
gamma-decalactoneFL/FR
 dimethyl anthranilateFL/FR
 ethyl heptanoateFL/FR
 raspberry ketoneFL/FR
 rose butanoateFL/FR
 styralyl acetateFL/FR
green
isoamyl isovalerateFL/FR
isoamyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 cortex pyridineFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 galbanum oilFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl 2-methyl butyrateFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
 violet leaf absoluteFL/FR
herbal
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
spicy
 clove bud oilFL/FR
 elettaria cardamomum seed oilFL/FR
sweet
 vanilla bean absolute (vanilla planifolia)FL/FR
vanilla
 vanillyl acetateFL/FR
waxy
isoamyl butyrateFL/FR
 decanal (aldehyde C-10)FL/FR
alpha-hexyl cinnamaldehydeFL/FR
woody
alpha-terpinyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 agrumen 
 aldehydicFR
 alpine bouquet 
 amaryllis 
 apple greenFR
 ash mountain ash 
 bayberryFR
 bergamotFR
 blossom tropical blossom 
 boroniaFR
 boxwood 
 boxwood blossom 
 carrot seedFL/FR
 chamomileFR
 chervil 
 cilantroFL/FR
 citrusFR
 clematisFR
 cologneFR
 cranberryFR
 daffodil narcissusFR
 dilleniaFR
 evergreenFR
 fern fougereFR
 figFR
 fir needle pine needleFL/FR
 floralFR
 foliage 
 fresh & cleanFR
 fruit tropical fruit 
 geraniumFR
 gooseberryFR
 grapeFR
 grapefruitFR
 green grassFR
 herbalFR
 hibiscusFR
 ivyFR
 kiwiFR
 lemonFR
 lilac lilas syringaFR
 limeFR
 linden blossom limeflower tilleulFR
 lotusFR
 mimosaFR
 ocean sea 
 osmanthusFL/FR
 palmarosaFL/FR
 pansyFR
 parsleyFL/FR
 passion blossomFR
 passion fruitFR
 petitgrainFL/FR
 petitgrain limeFL/FR
 pineFR
 pineappleFR
 privet blossom 
 rain springFR
 reseda mignonetteFR
 rhubarbFR
 rose tea roseFR
 rose wild rose 
 saffronFR
 seedy 
 spruceFL/FR
 tea 
 tropical 
 valerianFL/FR
 watercress nasturtium 
 wormwood absinthiumFL/FR
 yewFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
isobergamate
 cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate
 cyclohexadieneethanol, 4-(1-methylethyl)-, formate
 formic acid 2-(4-isopropyl cyclohexa-1,4-dien-1-yl) ethyl formate
 formic acid 2-(4-isopropylcyclohexa-1,4-dien-1-yl) ethyl formate
 formic acid, (menthadien-7-methanyl) ester
 menthadiene-7-methyl formate
 menthadienyl formate
 menthadienyl formiate
4-(1-methyl ethyl)-cyclohexadiene-1-ethyl formate
4-(1-methylethyl)-cyclohexadiene-1-ethyl formate
4-(1-methylethyl)cyclohexadiene-1-ethanol formate
4-(1-methylethyl)cyclohexadiene-1-ethyl formate
2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate
2-(4-isopropyl cyclohexadienyl) ethyl formate
4-(isopropyl)-cyclohexadiene-1-ethyl formate
4-(isopropyl)cyclohexadiene-1-ethyl formate
2-(4-isopropylcyclohexadienyl)ethyl formate
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Articles:
 None found yet.
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