(Z)-alpha-damascone

cis-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one

CAS: 23726-94-5 C13 H20 O MW: 192.30160000 floral

Identification

Name	(Z)-alpha-damascone
IUPAC	(Z)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one
CAS Number	23726-94-5
EINECS	245-845-8
FDA UNII	K75Q978U9D
Molecular Formula	C13 H20 O
Molecular Weight	192.30160000
Nikkaji Number	J242.654D
CoE Number	11053

Regulatory

DG SANTE Food Flavourings

07.225 cis-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one

Physical Properties

Appearance	colorless to pale yellow clear liquid (est)
Assay	92.00 to 100.00
Food Chemicals Codex Listed	No
Specific Gravity	0.92800 to 0.93800 @ 25.00 °C.
Pounds per Gallon - (est).	7.722 to 7.805
Refractive Index	1.49200 to 1.49900 @ 20.00 °C.
Boiling Point	266.00 to 267.00 °C. @ 760.00 mm Hg
Vapor Pressure	0.008000 mmHg @ 25.00 °C. (est)
Flash Point	222.00 °F. TCC ( 105.56 °C. )
logP (o/w)	3.436 (est)
Soluble in	alcohol
Insoluble in	water

Cosmetic Information

CosIng	cosmetic data
Cosmetic Uses	fragrance

Organoleptic Properties

Odor Description

at 1.00 % in dipropylene glycol.

Safety Information

Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

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

Safety in Use

Category	flavor and fragrance agents
RIFM Fragrance Material Safety Assessment	Search
IFRA Critical Effect	Dermal sensitization
fragrance material specification	Should not be used as fragrance ingredients such that the total level in finished cosmetic products exceeds 0.02%, individually or in combination. Based on test data showing sensitising potential for these materials and on evidence of cross-reactivity. (IFRA guidelines)
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%)	Category 1: Products applied to the lips
Notes	IFRA FLAVOR REQUIREMENTS:
use level in formulae for use in cosmetics	0.1000 %
Dermal Systemic Exposure in Cosmetic Products	0.0025 mg/kg/day (IFRA, 2002)
Maximised Survey-derived Daily Intakes (MSDI-EU)	1.35 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)	3465.40 (μg/person/day)
Structure Class	I
Dairy products, excluding products of category 02.0 (01.0)	10.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)	17.50000
Edible ices, including sherbet and sorbet (03.0)	0.01000
Processed fruit (04.1)	0.03000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)	12.50000
Confectionery (05.0)	14.00000
Chewing gum (05.3)	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)	9.20000
Bakery wares (07.0)	12.00000
Meat and meat products, including poultry and game (08.0)	5.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)	-
Eggs and egg products (10.0)	5.00000
Sweeteners, including honey (11.0)	2.50000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)	0.63000
Foodstuffs intended for particular nutritional uses (13.0)	1.25000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)	2.20000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)	2.00000
Ready-to-eat savouries (15.0)	-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)	-

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Potential Uses

FR almond blossom FR alpine bouquet FR angel essence FR apple blossom FR ash mountain ash blossom FR azalea FR beeswax absolute replacer FR bergamot blossom blossom tropical blossom FR blue mist FR bluebell FR bois de rose FR boronia FR botanical FR bouquet FR boxwood blossom FL capsicum FR carnation FR cassia blossom FR champaca FR cherry blossom FR chestnut blossom FR chypre FR cigar FR clematis FR clove blossom FR clover FR cologne FL/FR coriander FR coronilla FR country meadow FR crabapple blossom FR cyclamen FR daffodil FR dahlia FR daisy FR daphne FR deertongue absolute replacer FR dillenia FR elder flower FR fagonia FR fetes FR fig FR floral FR flouve blossom FR flower shop FR frangipani plumeria FR freesia FR gardenia FR genet FR geranium FR ginger white ginger FR greenhouse FR hawthorn FR hay new mown hay FR heather FR heliotrope FR hibiscus FR ho leaf FR honeysuckle FR hugonia FR hyacinth FR hydrangea FR iris blossom FR jasmin FR jonquil FR kewda FR kiwi blossom FR leather russian leather FR lilac FR lily FR lily calla lily FR lily ginger lily FR lily of the valley FR lily tiger lily FR lily water lily FL/FR linaloe wood FR linden flower FR lotus FR magnolia FR mango flower FR millefleurs FR mimosa FR mulberry FR myrtle oil replacer FR narcissus FR neroli FR new car FR orange blossom FR orchid FR orris FR palmarosa oil replacer FR pansy FR passion blossom FR peach blossom FR pear blossom FR peony FR floral petal waxy petal petal white petal FR petitgrain FL/FR petitgrain bergamot petitgrain FL/FR petitgrain lemon petitgrain FL/FR petitgrain lime petitgrain FL/FR petitgrain mandarin oil replacer FR petitgrain orange petitgrain FL/FR petitgrain tangerine petitgrain FR petunia FR phlox FR plum blossom FR plum blossom FR poppy FR poppy red poppy FR potpourri FR primrose FR privet blossom FR rose FR rose absolute replacer FR rose d'orient FR rose dog rose FR rose geranium FR rose moss rose FR rose red rose FR rose tea rose FR rose white rose rose wild rose FR saffron FR scented stock FR stephanotis FR sweet pea FR tobacco FR tobacco FR tobacco flower FR tuberose FR tulip FR violet FR wallflower FR wisteria FR woodruff FL/FR yerba mate FR ylang ylang

Natural Occurrence

found in nature

Synonyms

2- buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- 2- buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)- (Z)-alpha- damascone cis-a- damascone cis-alpha- damascone (Z)- rose ketone-1 cis- rose ketone-1 (Z)-1-(2,6,6- trimethyl-1-cyclohex-2-enyl)but-2-en-1-one (Z)-1-(2,6,6- trimethyl-2-cyclohexen-1-yl)-2-buten-1-one cis-1-(2,6,6- trimethyl-2-cyclohexen-1-yl)-2-buten-1-one (2Z)-1-(2,6,6- trimethylcyclohex-2-en-1-yl)but-2-en-1-one Try the PubMed Search.