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fresh nitrile

Chemical Structure

General Material Information

Preferred name fresh nitrile
Trivial Name 5-Methyl-7-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
Short Description isofreshal nitrile
Formula C13 H19 N
CAS Number 68311-05-7
ECHA Number 269-744-3
FDA UNII Search
Nikkaji Number J334.140B
xLogP3-AA 2.90 (est)
NMR Predictor External link
Synonyms
  • bicyclo(2.2.2)oct-5-ene-2-carbonitrile, 5-methyl-7-(1-methylethyl)-
  • bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 5-methyl-7-(1-methylethyl)-
  • iso freshal nitrile
  • 2-methyl-5-isopropylbicyclo(2.2.2)oct-2-ene-8-nitrile
  • 2-methyl-5-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carbonitrile
  • 3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-6-carbonitrile
  • 7-iso propyl-5-methyl bicyclo(2.2.2)oct-5-ene-2-carbonitrile
  • 7-iso propyl-5-methyl bicyclooctene-2-carbonitrile
  • 7-iso propyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
  • 5-Methyl-7-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 189.30143737793
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 291 to 292°C @ 760 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 106.11 °C TCC
logP (o/w) 3.984 est
Solubility
alcohol Yes
water, 7.49 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, woody, ozone
General comment At 100.00 %. green woody ozone

Potential Uses

Applications
Odor purposes Acacia , Agrumen aldehyde , Algae , Amaryllis , Apple green apple , Asafoetida , Ash mountain ash , Avocado , Basil oil replacer , Bayberry , Bergamot , Bois de rose , Boronia , Boxwood blossom , Boxwood berry , Calamus oil replacer , Cardamom oil replacer , Carrot seed , Celery , Chamomile , Cilantro , Cistus , Citronella , Clary sage oil replacer , Clematis , Cognac , Cortex , Costus , Croton eluteria bark , Cucumber , Currant bud absolute replacer , Cypress oil replacer , Daffodil , Dill weed , Dogwood , Elemi , Evergreen , Fennel , Fern , Fig , Foliage , Forest , Galangal root , Galbanum , Geranium , Ginger , Gingergrass , Green , Green grass , Green leaf , Guava , Heather , Hop , Hyacinth , Hydrangea , Hyssop , Iris blossom , Ivy , Jonquil , Lotus , Mimosa , Narcissus , Orange bitter orange peel , Oregano , Orris , Osmanthus , Pansy , Parsley leaf , Pine forest , Privet , Privet blossom , Reseda , Rhubarb , Rose geranium , Rose leaf , Savin , Sweet grass , Tarragon oil replacer , Tomato leaf , Valerian , Violet leaf
Flavoring purposes Artichoke , Asafoetida , Asparagus , Buchu leaf , Carrot , Carrot seed , Cilantro , Cistus , Croton eluteria bark , Currant bud absolute replacer , Dill weed , Galangal root , Hyssop , Lettuce , Orange bitter orange peel , Parsley leaf , Pea green pea , Pear prickly pear , Pepper bell pepper , Rose leaf , Savin , Tarragon oil replacer , Tomato , Valerian , Vegetable
Other purposes Grass , Leaf , Liverwort , Ozone , Stem , Strawberry leaf , Vegetation tropical hothouse vegetation , Vine , Weedy
Cosmetic purposes Perfuming agents

Safety Information

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:
oral-rat LD50 2000 mg/kg

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for fresh nitrile usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for fresh nitrile flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):68311-05-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109301
National Institute of Allergy and Infectious Diseases:Data
3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-6-carbonitrile
Chemidplus:0068311057