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(E)-cinnamyl nitrile

Chemical Structure

General Material Information

Preferred name (E)-cinnamyl nitrile
Trivial Name (2E)-3-Phenyl-2-propenenitrile
Short Description cinnamalva (IFF)
Formula C9 H7 N
CAS Number 1885-38-7
ECHA Number 217-552-5
FDA UNII H475UV3WWH
Nikkaji Number J148.035I
Beilstein Number 1209546
MDL MFCD00001930
NMR Predictor External link
Synonyms
  • cinnamalva (IFF)
  • (E)- cinnamic nitrile
  • (E)- cinnamonitrile
  • trans- cinnamonitrile
  • cinnamonitrile, (E)-
  • (E)- cinnamyl nitrile
  • cyanostyrene
  • (E)-3-phenyl acrylonitrile
  • (E)-beta- phenyl acrylonitrile
  • trans-beta- phenyl acrylonitrile
  • trans-3-phenyl-2-propene nitrile
  • trans-3-phenyl-2-propenenitrile
  • (2E)-3-phenylacrylonitrile
  • (E)-3-phenylacrylonitrile
  • (2E)-3-phenylprop-2-enenitrile
  • (E)-3-phenylprop-2-enenitrile
  • trans-3-phenylpropenonitrile
  • 2-propenenitrile, 3-phenyl-, (2E)-
  • 2-propenenitrile, 3-phenyl-, (E)-
  • (E)-3-phenylprop-2-enenitrile
  • 2-Propenenitrile, 3-phenyl-, (2E)-
  • 2-Propenenitrile, 3-phenyl-, (E)-
  • (2E)-3-Phenyl-2-propenenitrile
  • trans-β-Phenylacrylonitrile
  • trans-Cinnamonitrile
  • trans-3-Phenylpropenonitrile
  • (E)-Cinnamonitrile
  • (E)-3-Phenylacrylonitrile
  • (E)-3-Phenylpropenenitrile
  • trans-3-Phenyl-2-propenenitrile
  • (2E)-3-Phenylprop-2-enenitrile
  • NSC 77496
  • 3-trans-Phenyl-acrylonitrile
  • Cinnamalva

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2926.90.4800
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 129.16178894043
Specific gravity @ 25 °C
Pounds per Gallon 8.512 to 8.579
Specific gravity @ 20 °C
Pounds per Gallon 8.531 to 8.597
Refractive Index 1.599 to 1.604 @ 20 °C
Melting Point 19 to 22°C @ 760 mm Hg
Boiling Point 263 to 264°C @ 760 mm Hg
Vapor Pressure 0.023 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 1.84
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
paraffin oil, slightly soluble in hot paraffin oil Yes
water, 1067 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
antiperspirant Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
liquid detergent Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Spicy
cinnamon, cassia, spicy, cumin
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 84 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 10.00 % in dipropylene glycol. nitrile cinnamon cassia deep cumin
General comment Cinnamon-like with higher odor intensity and chemical stability than Cinnamic Aldehyde

Potential Uses

Applications
Odor purposes Balsam, Cassia, Cinnamon, Fruit, Herbal, Oriental, Spice, Woody
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect:
Carcinogenicity
View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
0.077 %
Category 2: Products applied to the axillae
0.023 %
Category 3: Products applied to the face/body using fingertips
0.46 %
Category 4: Products related to fine fragrance
0.43 %
Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
0.11 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.11 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.11 %
Category 5D: Baby Creams, baby Oils and baby talc
0.11 %
Category 6: Products with oral and lip exposure
0.25 %
Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
0.88 %
Category 7B: Leave-on products applied to the hair with some hand contact
0.88 %
Category 8: Products with significant anogenital exposure
0.045 %
Category 9: Products with body and hand exposure, primarily rinse off
0.84 %
Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
3.00 %
Category 10B: Household aerosol/spray products
3.00 %
Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
1.70 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
1.70 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
No Restriction
Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Recommendation for (E)-cinnamyl 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):1885-38-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :1550846
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(E)-3-phenylprop-2-enenitrile
Chemidplus:0001885387
RTECS:UD1440000 for cas# 1885-38-7