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lily pentanal

Chemical Structure

General Material Information

Preferred name lily pentanal
Trivial Name 3-Methyl-5-phenyl-1-pentanal
Short Description mefranal (Givaudan)
Formula C12 H16 O
CAS Number 55066-49-4
FDA UNII 00RZ3F0O1X
Nikkaji Number J1.574.283F
xLogP3-AA 3.00 (est)
NMR Predictor External link
Synonyms
  • benzenepentanal, beta-methyl-
  • citralis PQ (Indukern)
  • mefranal (Givaudan)
  • beta- methyl benzene pentanal
  • 3-methyl-5-phenyl-1-pentanal
  • 3-methyl-5-phenyl-pentanal
  • 3-methyl-5-phenylpentanal
  • beta- methylbenzenepentanal
  • phenyl methyl pentanal
  • 3-methyl-5-phenylpentanal
  • Benzenepentanal, β-methyl-
  • β-Methylbenzenepentanal
  • Mefranal
  • Methylphenylpentanal
  • Mefanal
  • 3-Methyl-5-phenyl-1-pentanal

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

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Literature & References

Leffingwell:Chirality or Article
3-methyl-5-phenylpentanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:55066-49-4
Pubchem (cid):108313
Pubchem (sid):135065527
Publications by US Patents
8,168,163 - [(4E, 4Z)-5-methoxy-3-methyl-4-pentenyl]-benzene and its use in perfume compositions

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 176.25871276855
Specific gravity @ 25 °C
Pounds per Gallon 7.988 to 8.03
Refractive Index 1.505 to 1.507 @ 20 °C
Boiling Point 121 to 123°C @ 14 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.238 est
Solubility
alcohol Yes
water, slightly Yes
water, 67.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Aldehydic
aldehydic, lily, green, fresh, waxy, woody
Odor strength medium
Substantivity 184 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 100.00 %. aldehydic lily green fresh waxy woody
Mefranal has a refreshing lemon geranium note with an aldehydic floral heart. Citrus, Aldehydic, Geranium
General comment CITRUS, ALDEHYDIC, FLORAL, GREEN

Potential Uses

Applications
Odor purposes Animal, Apple blossom, Floral, Green, Lily, Lily of the valley, Musk, Rose, Woody
Other purposes Clean, Waxy
Cosmetic purposes Fragrance, Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 22 - Harmful if swallowed.
R 38 - Irritating to skin.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Skin sensitisation (Category 1), H317
Chronic aquatic toxicity (Category 2), H411
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpgenvironment.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
H315 - Causes skin irritation
H317 - May cause an allergic skin reaction
H411 - Toxic to aquatic life with long lasting effects
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P272 - Contaminated work clothing should not be allowed out of the workplace.
P273 - Avoid release to the environment.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P330 - Rinse mouth.
P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P391 - Collect spillage. Hazardous to the aquatic environment
P501 - Dispose of contents/ container to an approved waste disposal plant.
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
Recommendation for lily pentanal usage levels up to:
3.0000 % in the fragrance concentrate.
Recommendation for lily pentanal 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):55066-49-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :108313
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:3
3-methyl-5-phenylpentanal
Chemidplus:0055066494