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

menthadienyl formate
isobergamate

Sponsors

Name:2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate
CAS Number: 68683-20-5Picture of molecule3D/inchi
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
Pubchem Patents:Search
 
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
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:8 hour(s) at 100.00 %
sweet floral fruity herbal minty
Odor Description:at 100.00 %. sweet floral fruity herbal minty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
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
 
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
 
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.
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
camphoreous
herbal ethanone
FR
citrus
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
grapefruit pentanol
FR
tetrahydromyrcenol
FR
floral
acetal 318
FR
blue lagoon fragrance
FR
cassis cyclohexene
FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
cymbopogon validus leaf oil
FR
3,6-
dimethyl-3-octyl acetate
FR
eucalyptus macarthurii oil
FR
floral pyranol
FR
gardenia oxide
FR
hibiscus fragrance
FR
hyacinth ether
FR
jasmin cyclopentanone
FR
magnolia specialty
FR
ortho-
methoxybenzyl ethyl ether
FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
muguet octadienol
FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
osmanthus absolute replacer
FR
peony alcohol
FR
rose undecene
FR
souroubea specialty
FR
tetrahydroionyl acetate
FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
allyl benzoate
FR
balsam specialty
FR
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
eriocephalus punctulatus flower oil
FR
ginsene
FR
green acetate
FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
myrascone
FR
peach nitrile
FR
plum damascone (high alpha)
FR
cis-
woody acetate
FR
green
dicyclopentadiene propionate
FR
herbal cyclohexane
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
artemisia ludoviciana oil
FR
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
iso
dihydrolavandulol
FR
(Z)-iso
dihydrolavandulyl acetate
FR
geranium cyclohexane
FR
inula root oil
FR
methyl cyclogeranate (Firmenich)
FR
common
tansy flower oil
FR
common
tansy flower oil dutch
FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
minty
artemisia deserti krasch. oil iran
FR
mossy
veramoss (IFF)
FR
thujonic
common
tansy oil canada
FR
tonka
tonka bean absolute
FR
tropical
triflaige A
FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
patchouli absolute
FR
patchouli ethanone
FR
rhubarb oxirane
FR
santall
FR
(Z)-
woody amylene
FR
For Flavor
 
Potential Uses:
 agrumen
FRaldehydic
 alpine bouquet
 amaryllis
FRapple green
 ash mountain ash
FRbayberry
FRbergamot
 blossom tropical blossom
FRboronia
 boxwood
 boxwood blossom
FL/FRcarrot seed
FRchamomile
 chervil
FL/FRcilantro
FRcitrus
FRclematis
FRcologne
FRcranberry
FRdaffodil narcissus
FRdillenia
FRevergreen
FRfern fougere
FRfig
FL/FRfir needle pine needle
FRfloral
 foliage
FRfresh & clean
 fruit tropical fruit
FRgeranium
FRgooseberry
FRgrape
FRgrapefruit
FRgreen grass
FRherbal
FRhibiscus
FRivy
FRkiwi
FRlemon
FRlilac lilas syringa
FRlime
FRlinden blossom limeflower tilleul
FRlotus
FRmimosa
 ocean sea
FL/FRosmanthus
FL/FRpalmarosa
FRpansy
FL/FRparsley
FRpassion blossom
FRpassion fruit
FL/FRpetitgrain
FL/FRpetitgrain lime
FRpine
FRpineapple
 privet blossom
FRrain spring
FRreseda mignonette
FRrhubarb
FRrose tea rose
 rose wild rose
FRsaffron
 seedy
FL/FRspruce
 tea
 tropical
FL/FRvalerian
 watercress nasturtium
FL/FRwormwood absinthium
FRyew
 
Occurrence (nature, food, other):note
 not found in nature
 
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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