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neroli aldehyde
4-hexenal, 2-ethenyl-2,5-dimethyl-

Supplier Sponsors

Name:2-ethenyl-2,5-dimethylhex-4-enal
CAS Number: 56134-05-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:260-006-6
Nikkaji Web:J296.577A
XlogP3-AA:2.80 (est)
Molecular Weight:152.23672000
Formula:C10 H16 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a).
Category:flavor and 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
FLAVIS Number:05.143 (Old)
DG SANTE Food Flavourings:05.143 2-ethenyl-2,5-dimethylhex-4-enal
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84500 to 0.85100 @ 25.00 °C.
Pounds per Gallon - (est).: 7.031 to 7.081
Refractive Index:1.45200 to 1.45800 @ 20.00 °C.
Boiling Point: 205.00 to 206.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.248000 mmHg @ 25.00 °C. (est)
Flash Point: 164.00 °F. TCC ( 73.33 °C. )
logP (o/w): 2.503 (est)
Soluble in:
 alcohol
 water, 100.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,5-Dimethyl-2-vinylhex-4-enal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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: flavor and fragrance agents
Recommendation for neroli aldehyde usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 3.0000015.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):56134-05-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :92018
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-ethenyl-2,5-dimethylhex-4-enal
Chemidplus:0056134055
 
References:
 2-ethenyl-2,5-dimethylhex-4-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:56134-05-5
Pubchem (cid):92018
Pubchem (sid):135048420
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
linalyl cinnamate
FL/FR
citrus
abronia fragrance
FR
mandarin oil italy
FL/FR
floral
bigarade oxide
FR
citronellyl anthranilate
FL/FR
citronellyl propionate
FL/FR
cyclamen aldehyde / methyl anthranilate schiff's base
FR
decyl anthranilate
FR
dimethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
pink
frangipani absolute
FR
geranyl anthranilate
FR
geranyl formate
FL/FR
linalyl phenyl acetate
FL/FR
beta-
naphthyl anthranilate
FL/FR
beta-
naphthyl methyl ketone
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
neroli absolute
FL/FR
neroli extract
FL/FR
neroli fragrance
FR
neroli oil
FL/FR
neroli oil bigarde
FL/FR
neroli oil CO2 extract
FL/FR
neroli oil morocco
FL/FR
neroli oil replacer
FR
neroli oil tunisia
FL/FR
neroli specialty
FR
petitgrain mandarin oil terpeneless
FL/FR
petitgrain oil
FL/FR
petitgrain oil paraguay
FL/FR
petitgrain oil terpenes
FR
(E)-2-
phenyl-1(2)-propene-1-yl acetate
FR
iso
propyl anthranilate
FL/FR
ylang ylang flower oil
FL/FR
ylang ylang flower oil CO2 extract
FL/FR
ylang ylang flower oil fractions
FR
ylang ylang flower oil I
FL/FR
ylang ylang flower oil II
FL/FR
ylang ylang oil replacer
FR
fruity
cyclohexyl anthranilate
FL/FR
methyl anthranilate
FL/FR
neryl propionate
FL/FR
medicinal
meta-
dimethyl hydroquinone
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
terpenic
cassis bud oil
FL/FR
waxy
decanal dimethyl acetal
FL/FR
woody
anthocephalus cadamba oil
FR
convolvulus scoparius wood oil
FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
For Flavor
No flavor group found for these
decanal dimethyl acetal
FL/FR
ethyl ethyl anthranilate
FL/FR
linalyl phenyl acetate
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
iso
propyl anthranilate
FL/FR
chemical
chemical
meta-
dimethyl hydroquinone
FL/FR
citrus
mandarin oil italy
FL/FR
neroli oil tunisia
FL/FR
petitgrain oil
FL/FR
floral
citronellyl propionate
FL/FR
beta-
naphthyl methyl ketone
FL/FR
neroli absolute
FL/FR
neroli extract
FL/FR
neroli oil
FL/FR
neroli oil bigarde
FL/FR
neroli oil CO2 extract
FL/FR
neroli oil morocco
FL/FR
ylang ylang flower oil
FL/FR
ylang ylang flower oil CO2 extract
FL/FR
ylang ylang flower oil I
FL/FR
ylang ylang flower oil II
FL/FR
fruity
cassis bud oil
FL/FR
citronellyl anthranilate
FL/FR
cyclohexyl anthranilate
FL/FR
dimethyl anthranilate
FL/FR
linalyl cinnamate
FL/FR
methyl anthranilate
FL/FR
beta-
naphthyl anthranilate
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
green
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
geranyl formate
FL/FR
neryl propionate
FL/FR
herbal
petitgrain oil paraguay
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
2,5-dimethyl-2-vinyl hex-4-enal
2,5-dimethyl-2-vinyl-4-hexenal
2,5-dimethyl-2-vinylhex-4-enal
2-ethenyl-2,5-dimethylhex-4-enal
4-hexenal, 2-ethenyl-2,5-dimethyl-
 neroli aldehyde
 nerolialdehyd
 

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