orris butenone

iritone (IFF)

CAS: 67801-38-1 C13 H20 O MW: 192.30160000 floral

All Ingredients Aromatic Ingredients CAS Numbers EINECS Numbers Fragrance Ingredients M.W Index Odor Substantivity Refractive Index Specific Gravity

Identification

Name	orris butenone
IUPAC	(E)-4-(2,4,6-trimethyl-1-cyclohex-3-enyl)but-3-en-2-one
CAS Number	67801-38-1
EINECS	267-158-2
FDA UNII	67GL43KSFC
Molecular Formula	C13 H20 O
Molecular Weight	192.30160000
Nikkaji Number	J70.251J
Beilstein	3243121

Regulatory

Physical Properties

Appearance	pale yellow clear liquid (est)
Assay	90.00 to 100.00 sum of isomers
Food Chemicals Codex Listed	No
Specific Gravity	0.91500 to 0.92500 @ 25.00 °C., 0.91600 to 0.92600 @ 20.00 °C.
Pounds per Gallon - (est).	7.614 to 7.697
Pounds per Gallon - est.	7.631 to 7.714
Refractive Index	1.49200 to 1.49600 @ 20.00 °C.
Boiling Point	276.00 to 277.00 °C. @ 760.00 mm Hg
Vapor Pressure	0.005000 mmHg @ 25.00 °C. (est)
Flash Point	> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w)	3.642 (est)
Soluble in	alcohol
Insoluble in	water

Cosmetic Information

CosIng	cosmetic data
Cosmetic Uses	perfuming agents

Organoleptic Properties

Odor Description

at 10.00 % in dipropylene glycol.

Safety Information

Oral/Parenteral Toxicity	oral-rat LD50 5200 mg/kg
Dermal Toxicity	skin-rabbit LD50 > 5000 mg/kg
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	fragrance agents
RIFM Fragrance Material Safety Assessment	Search
maximum skin levels for fine fragrances	0.0070 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002)
Recommendation for orris butenone usage levels up to	0.2000 % in the fragrance concentrate.
use level in formulae for use in cosmetics	0.0450 %
Dermal Systemic Exposure in Cosmetic Products	0.0011 mg/kg/day (IFRA, 2002)
Recommendation for orris butenone flavor usage levels up to	not for flavor use.

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67801-38-1 Iritone

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Potential Uses

FR amber FR floral FR moss FR oriental FR violet

Natural Occurrence

not found in nature

Synonyms

3- buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)- 3- buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-, (3E)- 3- buten-2-one,4-(2,4,6-trimethyl-4-cyclohexen-1-yl) iritone (IFF) orris butenone (E)-4-(2,4,6- trimethyl-1-cyclohex-3-enyl)but-3-en-2-one 4-(2,4,6- trimethyl-3-cyclohexen-1-yl)-3-buten-2-one trimethyl-3-cyclohexenyl-3-butenone 4-(2,4,6- trimethyl-4-cyclohexen-1-yl)-3-buten-2-one (3E)-4-(2,4,6- trimethylcyclohex-3-en-1-yl)but-3-en-2-one Try the PubMed Search.