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floral butanal

Chemical Structure

General Material Information

Preferred name floral butanal
Trivial Name Florhydral
Short Description florhydral (Givaudan)
Formula C13 H18 O
CAS Number 125109-85-5
FDA UNII Z92022479Y
Nikkaji Number J1.563.138D
MDL MFCD18252364
xLogP3-AA 3.10 (est)
NMR Predictor External link
Synonyms
  • butanal, 3-[3-(1-methylethyl)phenyl]-
  • florhydral (Givaudan)
  • 3-(3-(1-methyl ethyl)phenyl) butanal
  • beta- methyl-3-(1-methyl ethyl) benzene propanal
  • beta- methyl-3-(1-methylethyl)benzenepropanal
  • 3-(3-(1-methylethyl)phenyl)butanal
  • 3-(3-propan-2-ylphenyl)butanal
  • iso propyl methyl benzene propanal
  • iso propyl phenyl butanal
  • 3-(3-iso propyl phenyl) butanal
  • iso propyl phenylbutanal
  • iso propylmethylbenzenepropanal
  • 3-(3-iso propylphenyl)butanal
  • 3-(3-iso propylphenyl)butyraldehyde
  • 3-(3-propan-2-ylphenyl)butanal
  • Benzenepropanal, β-methyl-3-(1-methylethyl)-
  • β-Methyl-3-(1-methylethyl)benzenepropanal
  • Florhydral
  • 3-(3-Isopropylphenyl)butanal

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

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Literature & References

Leffingwell:Chirality or Article
3-(3-propan-2-ylphenyl)butanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):86209
Pubchem (sid):135043920
Publications by US Patents
4,910,346 - 3-(3-propan-2-ylphenyl)butanal and 3-(3-propen-2-ylphenyl)butanal

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 190.28565979004
Boiling Point 251 to 252°C @ 760 mm Hg
Vapor Pressure 0.021 mmHg @ 25 °C
Flash Point TCC Value 67.78 °C TCC
logP (o/w) 3.021 est
Solubility
alcohol Yes
water, 40 mg/L @ 20 °C (exp) Yes
Stability
alcoholic - good Unspecified
antiperspirant spray - moderate Unspecified
APC (pH = 10) - good Unspecified
candles - good Unspecified
damp fabric - good Unspecified
dry fabric - good Unspecified
liquid bleach - poor Unspecified
pH = 2 - moderate Unspecified
powder detergent - good Unspecified
powder detergent + activator - moderate Unspecified
soap - good Unspecified
toiletries - good Unspecified

Organoleptic Properties

Odor Type: Floral
floral, green, muguet, linden flower, lily of the valley, fresh
Odor strength medium
Substantivity 144 hour(s) at 100.00 %
General comment At 100.00 %. floral green muguet linden flower lily of the valley fresh
Florhydral has a very floral, fresh, trendy, natural odour (such as lily-of-the-valley,hyacinth...). Its great intensity and pleasant quality make it useful in all areas of perfumery. Florhydral is also valuable in fragrances for laundry products where a fresh residual odour is desired. Florhydral gives naturalness together with aldehydes in citrus accords. Floral, Green, Muguet, Fresh, Powerful
A superb freshening agent in any floral, it exalts citrus very well and of course is ideal where you need a Lilly of the Valley note that isn’t restricted by IFRA. Normally used at less than 1% of the concentrate except in Lilly of the Valley applications. Floral-muguet, fresh, green. Powerful

Potential Uses

Applications
Odor purposes Cyclamen, Floral, Hyacinth, Lily of the valley, Magnolia
Other purposes Natural
Cosmetic purposes Fragrance, Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
N - Dangerous for the environment.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 60 - This material and its container must be disposed of as hazardous waste.
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)
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
A superb freshening agent in any floral, it exalts citrus very well and of course is ideal where you need a Lilly of the Valley note that isn’t restricted by IFRA. Normally used at less than 1% of the concentrate except in Lilly of the Valley applications.

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 floral butanal usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for floral 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):125109-85-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86209
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
3-(3-propan-2-ylphenyl)butanal
Chemidplus:0125109855