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

3,5,6-neocyclocitral
3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-

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Name:3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
CAS Number: 67634-07-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:266-810-3
FDA UNII:38HRF2I56T
Nikkaji Web:J68.879G
XlogP3-AA:1.90 (est)
Molecular Weight:152.23672000
Formula:C10 H16 O
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 clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85800 to 0.86300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.139 to 7.181
Refractive Index:1.43100 to 1.43600 @ 20.00 °C.
Boiling Point: 201.00 to 202.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.291000 mm/Hg @ 25.00 °C. (est)
Flash Point: 152.00 °F. TCC ( 66.67 °C. )
logP (o/w): 3.034 (est)
Soluble in:
 alcohol
 water, 119.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
Substantivity:4 hour(s) at 100.00 %
fresh green leafy clean herbal chrysanthemum
Odor Description:at 100.00 %. fresh green leafy clean herbal chrysanthemum
Luebke, William tgsc, (1986)
Odor sample from: Harrmann & Reimer Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Penta International
neoCYCLOCITRAL
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
IFRA Critical Effect: Sensitization
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)
0.20 % (1)
Category 2:  0.30 %
Category 3:  1.10 %
Category 4:  3.20 %
Category 5:  1.70 %
Category 6:  5.10 % (1)
Category 7:  0.50 %
Category 8:  2.00 %
Category 9:  5.00 %
Category 10:  2.50 %
Category 11: See Note (2)
 Notes:
 

(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 3,5,6-neocyclocitral flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):67634-07-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106735
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
Chemidplus:0067634075
 
References:
 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:67634-07-5
Pubchem (cid):106735
Pubchem (sid):135064595
 
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:2912.29.60
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
balsamic
clover nitrile
FR
citrus
grapefruit pentanol
FR
neroli ketone
FR
tetrahydromyrcenol
FR
floral
floral pyranol
FR
gardenia oxide
FR
geranium pyran
FR
geranium specialty
FR
heliotropyl diethyl acetal
FR
ho leaf oil
FR
hyacinth ether
FR
leerall
FR
muguet carboxaldehyde
FR
muguet octadienol
FR
orris pyridine 25% IPM
FR
peony alcohol
FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
green acetate
FR
green
hexoxyacetaldehyde dimethyl acetal
FR
lawsonia inermis leaf oil CO2 extract
FR
iso
propyl phenyl propionaldehyde
FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
herbal
buchu oxime
FR
herbal heptane
FR
herbal undecanone
FR
nopyl acetate
FR
marine
marine pyridine
FR
melon
watermelon ketone
FR
woody
amber carbinol
FR
patchouli ethanone
FR
woody acetate
FR
(Z)-
woody amylene
FR
woody propanol
FR
For Flavor
 
Potential Uses:
 agate
 agrumen
FRaldehydic
 alpine bouquet
 amaryllis
 apple crabapple
FRapple green
 ash mountain ash
FRbalsam
 bark
 bean
FRbergamot
 blossom tropical blossom
 boxwood
 boxwood blossom
FL/FRcajuput
FRcalamus
FRcedar forest
FL/FRcelery
 cherry wild cherry
FRchristmas blends
FRchrysanthemum chrysantheme
FRchypre
FL/FRcilantro
FRcitrus
 clean
FRclematis
 cloudberry bakeapple
FRcognac
FRcologne
 cortex
FRcranberry
FRdaffodil narcissus
 diffusion
FRearth humus
 enhancer
 ethereal
FRevergreen
 fantasy blends
FRfern fougere
FRfig
FRfir balsam
FL/FRfir needle pine needle
FRfloral
FRflouve
FRflower shop
 foliage
FRgenet genista broom
FRginger white
 grass
FRgreen
FRheather
FRherbal
FRhyacinth jacinthe
FRhydrangea
FRivy
FRjonquil narcissus jonquilla
 kewda
 leaf
FRautumn
FRlemon
FRlemongrass
FRlime
FRlotus
FRmeadow country
 millefleurs
FRmint
FRnarcissus narcisse
 natural
 nut
 ocean sea
FRorris iris
FRoutdoors fresh
FRpansy
 pear prickly pear
FRpeony
 pepper tabasco pepper
FL/FRpetitgrain lime
FRpetunia
FRpine
FRpineapple
 privet
 privet blossom
FRrain
FRreseda mignonette
FRrhubarb
FRrose
 rose wild rose
FRsaffron
 stem
FRsweet pea
 tea
 tomato
 topnotes
FRtulip
FRverbena
 vika cologne
 vine
FRviolet
 wasabi
 watercress nasturtium
 weedy
FRyew
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3,5,6-neocyclocitral
meta-cyclocitral
3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-
3,5,6-trimethyl cyclohex-3-ene-1-carbaldehyde
 trimethyl cyclohexene carbaldehyde
3,5,6-trimethyl-3-cyclohexene-1-carboxaldehyde
3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
 

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