Citronellyl tiglate

Chemical Properties

Boiling point	144-145 °C9 mm Hg(lit.)
Density	0.903 g/mL at 25 °C(lit.)
vapor pressure	1.4Pa at 25℃
refractive index	n20/D 1.465(lit.)
FEMA	4295 \| CITRONELLYL TRANS-2-METHYL-2-BUTENOATE
Flash point	>230 °F
color	A colourless or pale straw-coloured liquid.
Odor	Fresh-herbaceous, slightly green and warm-rosy odor of moderate tenacity.
Odor Type	floral
Water Solubility	385μg/L at 20℃
JECFA Number	1823
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+
InChIKey	UCFQYMKLDPWFHZ-MKMNVTDBSA-N
SMILES	O(CCC(CCC=C(C)C)C)C(=O)\C(=C\C)\C
LogP	5.99 at 25℃
NIST Chemistry Reference	Citronellyl tiglate(24717-85-9)
EPA Substance Registry System	2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- (24717-85-9)

WGK Germany	2
TSCA	TSCA listed
Storage Class	10 - Combustible liquids
Hazard Classifications	Aquatic Acute 1 Aquatic Chronic 1 Skin Sens. 1
Toxicity	Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Moreno, 1975).