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General Material Information

Preferred name hyacinth butanal
Trivial Name 3-Phenylbutanal
Short Description trifernal (Firmenich)
Formula C10 H12 O
CAS Number 16251-77-7
Deleted CAS Number 108211-22-9
ECHA Number 240-362-9
FDA UNII 1B5MVX2XGA
Nikkaji Number J82.489E
MDL MFCD00010698
xLogP3-AA 1.90 (est)
NMR Predictor External link
Synonyms
  • butyraldehyde, 3-phenyl-
  • 3-methyl-3-phenylpropanal
  • 3-phenyl butanal
  • 3-phenyl butyraldehyde
  • 3-phenyl-mutanal
  • 3-phenylbutanal
  • ±-3-phenylbutyraldehyde
  • trifernal (Firmenich)
  • Benzenepropanal, β-methyl-
  • Hydrocinnamaldehyde, β-methyl-
  • β-Methylbenzenepropanal
  • 3-Phenylbutanal
  • 3-Phenylbutyraldehyde
  • (RS)-3-Phenylbutanal
  • (±)-3-Phenylbutyraldehyde
  • Trifernal
  • 3-Methyl-3-phenylpropionaldehyde
  • 3-Phenylbutylaldehyde
  • 3-Phenyl-1-butanal

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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:2912.29.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.20483398438
Specific gravity @ 25 °C
Pounds per Gallon 8.155 to 8.737
Refractive Index 1.505 to 1.525 @ 20 °C
Acid Value 5 max KOH/g
Vapor Pressure 0.206 mmHg @ 25 °C
Flash Point TCC Value 76.67 °C TCC
logP (o/w) 2.134 est
Solubility
alcohol Yes
water, 623.9 mg/L @ 25 °C (est) Yes
Stability
APC: traces - 0.5% Unspecified
candle: traces - 1% Unspecified
detergent: traces - 1% Unspecified
fine fragrances: traces - 0.1% Unspecified
shampoo: traces - 0.2% Unspecified
shower gel: traces - 0.2% Unspecified
soap: traces - 0.5% Unspecified
softener: traces - 0.5% Unspecified

Organoleptic Properties

Odor Type: Green
foliage, green, herbal, hyacinth
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1984) At 10.00 % in dipropylene glycol. powerful foliage green herbal hyacinth
TRIFERNAL ® can be used to give excellent natural effects in many floral perfumes based on lilac, hyacinth, violet or muguet; in combination with other green notes as well as in aromatic and cologne creations. Very effective at low levels. Very powerful and diffusive green note that is reminiscent of the natural bitter green character present in certain flowers and crushed foliage
General comment Very powerful and diffusive green note that is reminiscent of the natural bitter green character present in certain flowers and crushed foliage

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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:
Dermal sensitization and systemic toxicity
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
0.17 %
Category 2: Products applied to the axillae
0.069 %
Category 3: Products applied to the face/body using fingertips
0.023 %
Category 4: Products related to fine fragrance
0.44 %
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
0.24 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.23 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.34 %
Category 5D: Baby Creams, baby Oils and baby talc
0.0076 %
Category 6: Products with oral and lip exposure
0.011 %
Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
0.023 %
Category 7B: Leave-on products applied to the hair with some hand contact
0.023 %
Category 8: Products with significant anogenital exposure
0.0076 %
Category 9: Products with body and hand exposure, primarily rinse off
0.080 %
Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
0.080 %
Category 10B: Household aerosol/spray products
0.36 %
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
0.0076 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.0076 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
9.60 %
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 hyacinth butanal 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):16251-77-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :85979
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylbutanal
Chemidplus:0016251777