Isophorone

Melting point :-8 °C (lit.)
Boiling point :213-214 °C (lit.)
Density :0.923 g/mL at 25 °C (lit.)
vapor density :4.77 (vs air)
vapor pressure :0.2 mm Hg ( 20 °C)
refractive index :n20/D 1.476(lit.)
FEMA :3553 | ISOPHORONE
Flash point :184 °F
storage temp. :Store below +30°C.
solubility :14.5g/l
form :Liquid
color :Clear colorless to yellow
Odor :Like camphor.
explosive limit :0.8-3.8%(V)
Odor Type :woody
biological source :synthetic
Water Solubility :Soluble in water (12g/L).
Specific Heat Capacity :Cp(liquid): 1.83 J/(g·K), at 25℃
JECFA Number :1112
Merck :14,5196
BRN :1280721
Henry's Law Constant :(x 10^-6 atmm³/mol): 5.8 (calculated, U.S. EPA, 1980a)
Exposure limits :ACGIH:TLV-CEILING 5 ppm (28 mg/m3)
OSHA:PEL-TWA 25 ppm (140 mg/m3)
NIOSH:REL-TWA 4 ppm Stability :Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents.
InChI :1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey :HJOVHMDZYOCNQW-UHFFFAOYSA-N
SMILES :CC1=CC(=O)CC(C)(C)C1
LogP :1.67-1.7 at 20℃
CAS DataBase Reference :78-59-1(CAS DataBase Reference)
NIST Chemistry Reference :2-Cyclohexen-1-one, 3,5,5-trimethyl-(78-59-1)
EPA Substance Registry System :Isophorone (78-59-1)
ECETOC JACC REPORT :Isophorone (78-59-1)

Symbol(GHS):
Signal word:	Warning
Hazard statements:	Code Hazard statements Hazard class Category Signal word Pictogram P-Codes H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning P264, P280, P305+P351+P338,P337+P313P H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning H351 Suspected of causing cancer Carcinogenicity Category 2 Warning P201, P202, P281, P308+P313, P405,P501
Precautionary statements:	P201 Obtain special instructions before use. P280 Wear protective gloves/protective clothing/eye protection/face protection. P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313 IF exposed or concerned: Get medical advice/attention.