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Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 82.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.80900 to 0.81400 @ 20.00 °C.
|
| Pounds per Gallon - (est).: | 6.740 to 6.781
|
| Refractive Index: | 1.42100 to 1.42500 @ 20.00 °C.
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| Boiling Point: | 174.00 to 178.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.303000 mmHg @ 25.00 °C. |
| Vapor Density: | 4.97 ( Air = 1 ) |
| Flash Point: | 151.00 °F. TCC ( 66.11 °C. )
|
| logP (o/w): | 2.918 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: |
| | alcohol | | | water, 613.8 mg/L @ 25 °C (est) | | | water, 445 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: ethereal |
| fresh ethereal fermented yeasty |
| Odor Description:at 10.00 % in dipropylene glycol. mild fresh ethereal fermented yeasty |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | None - None found. |
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
|
| |
| 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: |
intraperitoneal-rat LD50 800 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 22, 1974.
oral-mouse LD50 3530 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
oral-rat LD50 3560 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
|
| Dermal Toxicity: |
skin-rabbit LD50 4600 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 22, 1974.
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| Inhalation Toxicity: |
|
Not determined
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Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) |
| Structure Class: | II |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 4 |
| Click here to view publication 4 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | - |
| beverages(nonalcoholic): | - | 20.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | 20.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | 20.00000 |
| fruit ices: | - | 20.00000 |
| gelatins / puddings: | - | 20.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 20.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | - | - |
| soups: | - | - |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
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Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf
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Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):108-82-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7957 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1157 |
| WGK Germany:2 |
| 2,6-dimethylheptan-4-ol |
| Chemidplus:0000108827 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:MJ3325000 for cas# 108-82-7 |
References:
Other Information:
Potential Blenders and core components note
| For Odor |
| No odor group found for these |
pseudo methyl ionone
CS |
|
lycopene
CS |
| acidic |
| acidic |
cyclohexyl acetic acid
FL/FR |
2- ethyl butyric acid
FL/FR |
| alcoholic |
fusel oil
FL/FR |
propyl alcohol
FL/FR |
| aldehydic |
iso butyraldehyde
FL/FR |
| alliaceous |
dibutyl sulfide
FL/FR |
| animal |
piperidine
FL/FR |
| anisic |
estragole
FL/FR |
| caramellic |
2-oxo butyric acid
FL/FR |
levulinic acid
FL/FR |
| cheesy |
butyric acid
FL/FR |
| citrus |
petitgrain combava oil
FR |
| ethereal |
iso propyl formate
FL/FR |
| fatty |
4- methyl octanoic acid
FL/FR |
| fermented |
butyl laevo-lactate
FL/FR |
propyl nonanoate
FL/FR |
valeraldehyde
FL/FR |
| floral |
phenethyl butyrate
FL/FR |
| fruity |
butyl acetoacetate
FL/FR |
ethyl 3,5,5-trimethyl hexanoate
FR |
geranyl acetoacetate
FL/FR |
tropical thiazole
FL/FR |
| green |
butyl lactate
FL/FR |
(E)-2- pentenal
FL/FR |
| herbal |
white cognac oil
FL/FR |
jambu oleoresin
FL/FR |
levisticum officinale root absolute
FL/FR |
origanum oil
FL/FR |
origanum oil greece
FL/FR |
| leathery |
4-tert- butyl phenol
CS |
| medicinal |
ortho- cresyl acetate
FL/FR |
quinoline
CS |
summer savory oil
FL/FR |
2,6- xylenol
FL/FR |
| milky |
laevo- glutamine
CS |
| nutty |
2,3- dimethyl pyrazine
FL/FR |
maraniol
CS |
resorcinol
FR |
| spicy |
ginger oleoresin africa
FL/FR |
safrole
CS |
white sassafras oil
FL/FR |
| sulfurous |
1- phenethyl mercaptan
FL/FR |
S- tropical 2-thiobutyrate
FL/FR |
| tonka |
saffron resinoid
FL/FR |
| yeasty |
laevo- glutamic acid
CS |
2- octen-4-one
FL/FR |
| For Flavor |
| No flavor group found for these |
allyl methyl trisulfide
FL |
benzyl disulfide
FL |
butyl acetoacetate
FL/FR |
capsicum oleoresin
FL |
ortho- cresyl acetate
FL/FR |
elecampane root absolute
FL |
elecampane root oil
FL |
fig leaf absolute
FL |
fleabane oil (erigeron canadensis)
FL |
geranyl acetoacetate
FL/FR |
(E,E)-2,4- heptadien-1-ol
FL |
(E,E)-2,4- hexadien-1-ol
FL |
2- hexenal diethyl acetal
FL |
1- phenethyl mercaptan
FL/FR |
piperidine
FL/FR |
propyl nonanoate
FL/FR |
3- propyl pyridine
FL |
1- pyrroline
FL |
white sassafras oil
FL/FR |
S- tropical 2-thiobutyrate
FL/FR |
wormseed oil america
FL |
wormseed oil spain
FL |
| acidic |
| acidic |
2- ethyl butyric acid
FL/FR |
levulinic acid
FL/FR |
| alcoholic |
propyl alcohol
FL/FR |
| aldehydic |
iso butyraldehyde
FL/FR |
| alliaceous |
dipropyl trisulfide
FL |
tropical thiazole
FL/FR |
| ammoniacal |
2- methyl piperidine
FL |
| balsamic |
peru balsam
FL |
styrax gum (liquidambar styraciflua)
FL |
| bitter |
glyceryl tributyrate
FL |
| brown |
2-oxo butyric acid
FL/FR |
| burnt |
2,6- xylenol
FL/FR |
| buttery |
butyl laevo-lactate
FL/FR |
diacetyl
FL |
| coconut |
(R)- massoia lactone
FL |
6- methyl coumarin
FL |
| coffee |
diisoamyl thiomalate
FL |
| cooling |
jambu oleoresin
FL/FR |
| creamy |
2- propanoyl thiophene
FL |
| cucumber |
2- ethyl octine carbonate
FL |
| fatty |
4- methyl octanoic acid
FL/FR |
2,4- octadien-1-ol
FL |
| fermented |
methyl thio isovalerate
FL |
| floral |
pseudo ionone
FL |
| fruity |
acetyl isovaleryl
FL |
fusel oil
FL/FR |
methyl formate
FL |
phenethyl butyrate
FL/FR |
iso propyl formate
FL/FR |
| fusel |
white cognac oil
FL/FR |
| green |
butyl lactate
FL/FR |
dibutyl sulfide
FL/FR |
3,4- dimethoxystyrene
FL |
(E)-2- hexenal diethyl acetal
FL |
(E)-2- pentenal
FL/FR |
iso phorone
FL |
| herbal |
origanum oil
FL/FR |
origanum oil greece
FL/FR |
| licorice |
estragole
FL/FR |
| meaty |
3- mercapto-2-butanone
FL |
ortho- thioguaiacol
FL |
| medicinal |
summer savory oil
FL/FR |
| nutty |
2,3- dimethyl pyrazine
FL/FR |
| oily |
tetrahydrofurfuryl propionate
FL |
| powdery |
powdery ketone
FL |
| seafood |
1,4- dithiane
FL |
| sour |
butyric acid
FL/FR |
3- methyl valeric acid
FL |
| spicy |
benzylidene acetone
FL |
ginger oleoresin africa
FL/FR |
levisticum officinale root absolute
FL/FR |
paprika oleoresin
FL |
winter savory oil
FL |
| sulfurous |
methyl thiomethyl butyrate
FL |
| sweet |
cyclohexyl acetic acid
FL/FR |
saffron resinoid
FL/FR |
| vegetable |
2- octen-4-one
FL/FR |
radish isothiocyanate
FL |
| winey |
valeraldehyde
FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | carbinol, di-isobutyl- | | | diisobutyl carbinol | | | diisobutylcarbinol | | | diisobutylene carbinol | | 2,6- | dimethyl heptan-4-ol | | 2,6- | dimethyl heptanol-4 | | 2,6- | dimethylheptan-4-ol | | 4- | heptanol, 2, 6-dimethyl- | | 4- | heptanol, 2,6-dimethyl- | | 4- | hydroxy-2,6-dimethyl heptane | | sec- | nonyl alcohol |
Articles:
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3D/inchi
