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lily propanol

Chemical Structure

General Material Information

Preferred name lily propanol
Trivial Name Majantol
Short Description majantol (Symrise)
Formula C12 H18 O
CAS Number 103694-68-4
FDA UNII 7S411YY2VY
Nikkaji Number J1.670.186F
Beilstein Number 3237799
MDL MFCD03701092
xLogP3-AA 3.10 (est)
NMR Predictor External link
Synonyms
  • 2,2-dimethyl-3-(3-methyl phenyl) propanol
  • 2,2-dimethyl-3-(3-methyl phenyl)-1-propanol
  • 2,2-dimethyl-3-(3-methylphenyl) propanol
  • 2,2-dimethyl-3-(3-methylphenyl)-1-propanol
  • 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
  • 2,2-dimethyl-3-(3-methylphenyl)propanol
  • 2,2-dimethyl-3-(3-tolyl)propan-1-ol
  • 3-(2,2-dimethyl-3-hydroxypropyl)toluol
  • lanjantol
  • lilivol
  • linlan alcohol
  • majantol (Symrise)
  • mugenol
  • mugiffol (IFF)
  • trimethyl benzene propanol
  • beta,beta,3-trimethyl benzene propanol
  • trimethylbenzenepropanol
  • 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
  • Benzenepropanol, β,β,3-trimethyl-
  • β,β,3-Trimethylbenzenepropanol
  • 2,2-Dimethyl-3-(3-methylphenyl)propanol
  • Majantol
  • 2,2-Dimethyl-3-(3-tolyl)propan-1-ol
  • 2,2-Dimethyl-3-m-tolylpropan-1-ol

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
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.27465820312
Specific gravity @ 25 °C
Pounds per Gallon 7.947 to 8.03
Refractive Index 1.5115 to 1.5215 @ 20 °C
Boiling Point 275 to 276°C @ 760 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 3.093 est
Solubility
alcohol Yes
water, 195.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, lily of the valley, green, tropical
Odor strength medium
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1996) At 100.00 %. floral lily of the valley green tropical
Stable in: body lotion (very good), shampoo (very good), soap (very good), ap roll-on (good), powder (very good), cleaner citric (very good), cleaner apc (good), bleach (poor). Fresh, soft, intensely floral, reminiscent of lily of the valley
General comment Fresh, soft, intensely floral fragrance, lilies, slightly green and fruity top-note

Potential Uses

Applications
Odor purposes Floral, Fruit, Green, Lily of the valley, Musk
Cosmetic purposes Fragrance, Perfuming agents

Safety Information

Safety information

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 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 - 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:
oral-rat LD50 > 2000 mg/kg

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
0.034 %
Category 2: Products applied to the axillae
0.20 %
Category 3: Products applied to the face/body using fingertips
0.025 %
Category 4: Products related to fine fragrance
1.70 %
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
0.43 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.061 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.039 %
Category 5D: Baby Creams, baby Oils and baby talc
0.013 %
Category 6: Products with oral and lip exposure
0.0025 %
Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
0.052 %
Category 7B: Leave-on products applied to the hair with some hand contact
0.052 %
Category 8: Products with significant anogenital exposure
0.013 %
Category 9: Products with body and hand exposure, primarily rinse off
0.14 %
Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
0.14 %
Category 10B: Household aerosol/spray products
0.30 %
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
0.013 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.013 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
8.60 %
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 lily propanol 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):103694-68-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :175948
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
Chemidplus:0103694684