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cuminyl nitrile

Chemical Structure

General Material Information

Preferred name cuminyl nitrile
Trivial Name 4-(1-Methylethyl)benzonitrile
Short Description 4-isopropylbenzonitrile
Formula C10 H11 N
CAS Number 13816-33-6
ECHA Number 237-492-3
FDA UNII 4V31KQF934
Nikkaji Number J132.029G
Beilstein Number 1932883
MDL MFCD00052966
NMR Predictor External link
Synonyms
  • benzonitrile, 4-(1-methylethyl)-
  • benzonitrile, p-isopropyl-
  • cumin nitrile
  • cuminic nitrile
  • cuminonitrile
  • 4-cyanocumene
  • p- cyanocumene
  • para- cyanocumene
  • 4-(1-methyl ethyl) benzonitrile
  • 4-(1-methyl ethyl)-1-benzene carbonitrile
  • 4-(1-methylethyl)-1-benzenecarbonitrile
  • 4-( methylethyl)benzenecarbonitrile
  • 4-(1-methylethyl)benzonitrile
  • 4-iso propyl benzonitrile
  • p-iso propyl benzonitrile
  • para-iso propyl benzonitrile
  • 4-(iso propyl)benzonitrile
  • 4-iso propylbenzonitrile
  • p-iso propylbenzonitrile
  • para-iso propylbenzonitrile
  • specenyle (Synarome)
  • spicenyle (Synarome)
  • 4-propan-2-ylbenzonitrile
  • 4-(1-Methylethyl)benzonitrile
  • p-Cyanocumene
  • p-Isopropylbenzonitrile
  • Cuminylnitrile
  • 4-Isopropylbenzonitrile

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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
Export Tariff Code:2926.90.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 145.2046661377
Boiling Point 230 to 231°C @ 760 mm Hg
Vapor Pressure 0.062 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 3.091 est
Solubility
alcohol Yes
water, 119.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Spicy
spicy, cumin, dry, green
Odor strength medium , recommend smelling in a 1.00 % solution or less
Substantivity < 4 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 1.00 % in dipropylene glycol. spicy cumin dry green
Cumin Nitrile is a spicy cuminic ingredient, with a dry character and a hint of green. Cumin Nitrile is less pungent than the aldehyde but more stable and tenacious. Spicy, Cumin, Green.
General comment Spicy and warm aroma of cumin with a touch of greenery

Safety Information

Safety information

Preferred SDS: View
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 3900 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983.

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 cuminyl nitrile usage levels up to:
1.0000 % in the fragrance concentrate.
Recommendation for cuminyl 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):13816-33-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26289
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-propan-2-ylbenzonitrile
Chemidplus:0013816336