3-Butylidenephthalide supplier

Name
N-BUTYLIDENEPHTHALIDE
EINECS 208-991-3
CAS No. 551-08-6
Article Data17
CAS DataBase
Density 1.204 g/cm³
Solubility
Melting Point 82.5°C
Formula C₁₂H₁₂O₂
Boiling Point 312°Cat760mmHg
Molecular Weight 188.226
Flash Point 113 ºC
Transport Information
Appearance
Safety Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes R22
Molecular Structure
Hazard Symbols Xn
Synonyms Phthalide,3-butylidene- (6CI,7CI,8CI);Butylidenephthalide;Ligusticum lactone;NSC 325307;1(3H)-Isobenzofuranone,3-butylidene-;
PSA 26.30000
LogP 2.99800

3-Butylidenephthalide Chemical Properties

Molecular Structure of 3-Butylidenephthalide (CAS NO.551-08-6):

IUPAC Name: (3Z)-3-Butylidene-2-benzofuran-1-one
Molecular Weight: 188.22248 [g/mol]
Molecular Formula: C₁₂H₁₂O₂
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 208-991-3
FEMA: 3333
Index of Refraction: 1.631
Molar Refractivity: 55.69 cm³
Molar Volume: 156.2 cm³
Surface Tension: 53.2 dyne/cm
Density: 1.204 g/cm³
Flash Point: 127.9 °C
Enthalpy of Vaporization: 55.29 kJ/mol
Boiling Point: 312 °C at 760 mmHg
Vapour Pressure: 0.000545 mmHg at 25 °C
Classification Code: Skin / Eye Irritant
Product Categories: Phthalides; A-B; Alphabetical Listings; Flavors and Fragrances

3-Butylidenephthalide Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 21, Pg. 659, 1983.
rat	LD50	oral	1850mg/kg (1850mg/kg)		Food and Chemical Toxicology. Vol. 21, Pg. 659, 1983.

3-Butylidenephthalide Consensus Reports

Reported in EPA TSCA Inventory.

3-Butylidenephthalide Safety Profile

Safety Information of 3-Butylidenephthalide (CAS NO.551-08-6):
Hazard Codes: Xn
Risk Statements: 22
22: Harmful if swallowed
Safety Statements: 23
33: Take precautionary measures against static discharges
WGK Germany: 2
RTECS: TI3692500
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

3-Butylidenephthalide Specification

3-Butylidenephthalide (CAS NO.551-08-6), its Synonyms are 1(3H)-Isobenzofuranone, 3-butylidene- ; 3-Butylidene phthalide ; 3-Butylidene-1(3H)-isobenzofuranone ; Ligusticum lactone ; Phthalide, 3-butylidene- ; n-Butylidene phthalide ; BdPh ; Butylidene phthalide .

Product Name

N-BUTYLIDENEPHTHALIDE

3-Butylidenephthalide Chemical Properties

3-Butylidenephthalide Toxicity Data With Reference

3-Butylidenephthalide Consensus Reports

3-Butylidenephthalide Safety Profile

3-Butylidenephthalide Specification

Related Products

Hot Products