grapefruit pentanol

pamplefleur (IFF)

CAS: 92585-24-5 C12 H18 O MW: 178.27466000 citrus

Identification

Namegrapefruit pentanol
IUPAC2-methyl-4-phenylpentan-1-ol
CAS Number92585-24-5
FDA UNIISearch
Molecular FormulaC12 H18 O
Molecular Weight178.27466000
Nikkaji NumberJ3.308.943K

Regulatory

Physical Properties

Appearance colorless clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 274.00 to 275.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.003000 mmHg @ 25.00 °C. (est)
Flash Point 219.00 °F. TCC ( 103.89 °C. )
logP (o/w) 3.245
Shelf Life 36.00 month(s) or longer if stored properly.
Storage store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in alcohol
Stability acid cleaner

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium
Substantivity 348 hour(s) at 100.00 %
Odor Description
at 100.00 %.
The animalic moiety for jasmin types. Citrus, Grapefruit, vetiver, fresh note
Odor sample from International Flavors & Fragrances Inc.

Safety Information

European informationMost important hazard(s):
Human Experienceskin sensitizer
Oral/Parenteral Toxicityoral-rat LD50 > 3000 mg/kg
Dermal Toxicityskin-rabbit LD50 3000 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryfragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for grapefruit pentanol usage levels up to2.0000 % in the fragrance concentrate.
Recommendation for grapefruit pentanol flavor usage levels up tonot for flavor use.

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Potential Uses

FR abronia FR agrumen aldehyde FR aldehydic FR almond FR alpine bouquet FR amaryllis FR animal FR apple FR apple blossom FR crabapple FR apricot FR ash mountain ash berry FR bergamot FR blackberry FR bouquet FR bramble arctic bramble blackberry FR cabreuva wood FR calamus oil replacer FR cherry blossom FL cherry wild cherry FR chypre FL/FR cilantro FR citrus FL cloudberry bakeapple FR cologne FR colonia FR crabapple blossom FR cranberry FR curacao FR daffodil FR elder berry FR fig FR fir needle oil replacer FR floral FR forest FR freesia FR gardenia FR grapefruit FR green FR heather FR herbal FR hibiscus FR hinoki oil replacer FR jasmin FR kumquat FR lemon FR linden flower FR lotus FR mandarin FR melissa oil replacer FR mock orange FL nectarine FR neroli FL/FR orange bitter orange peel FR orange blossom FR papaya FR passion fruit FR pear FR petitgrain FL/FR petitgrain bergamot petitgrain FL/FR petitgrain mandarin oil replacer FR petitgrain orange petitgrain FL/FR petitgrain tangerine petitgrain FR pine FR pineapple FR pomegranate FR rhubarb rose wild rose FR saffron FR spice FR spring rain FL starfruit FL tamarind FL tea FL tropical FR verbena FR vetiver watercress nasturtium FR woody

Natural Occurrence

not found in nature

Synonyms

beta,sigma- dimethyl benzene butanol grapefruit pentanol 2- methyl-4-phenyl-1-pentanol 2- methyl-4-phenylpentan-1-ol 2- methyl-4-phenylpentanol pamplefleur (IFF) PubMed: All-catalytic, efficient, and asymmetric synthesis of alpha,omega-diheterofunctional reduced polypropionates via "one-pot" Zr-catalyzed asymmetric carboalumination-Pd-catalyzed cross-coupling tandem process. PubMed: Chirality and fragrance chemistry: stereoisomers of the commercial chiral odorants Muguesia and Pamplefleur. PubMed: Aroma composition changes in early season grapefruit juice produced from thermal concentration.