orris butenone

General Material Information

Preferred name	orris butenone
Trivial Name	4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one
Short Description	iritone (IFF)
Formula	C13 H20 O
CAS Number	67801-38-1
ECHA Number	267-158-2
FDA UNII	67GL43KSFC
Nikkaji Number	J70.251J
Beilstein Number	3243121
xLogP3-AA	2.70 (est)
NMR Predictor	External link
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) (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 (E)-4-(2,4,6-trimethyl-1-cyclohex-3-enyl)but-3-en-2-one 3-Buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)- 4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one

(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

Material listed in food chemical codex	No
Molecular weight	192.30160522461
Specific gravity	@ 25 °C
Pounds per Gallon	7.614 to 7.697
Specific gravity	@ 20 °C
Pounds per Gallon	7.631 to 7.714
Refractive Index	1.492 to 1.496 @ 20 °C
Boiling Point	276 to 277°C @ 760 mm Hg
Vapor Pressure	0.005 mmHg @ 25 °C
Flash Point TCC Value	100 °C TCC
logP (o/w)	3.642 est
Solubility
alcohol	Yes
water, 11.06 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
floral, orris, violet, woody
General comment	At 10.00 % in dipropylene glycol. velvety floral orris violet ionone woody

Applications	fragrance agents
Odor purposes	Amber , Floral , Moss , Oriental , Violet
Cosmetic purposes	Perfuming agents


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 5200 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 131S, 1992.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 131S, 1992.
Inhalation Toxicity:
Not determined

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):67801-38-1

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6285057

National Institute of Allergy and Infectious Diseases:Data

(E)-4-(2,4,6-trimethyl-1-cyclohex-3-enyl)but-3-en-2-one

Chemidplus:0067801381