Propylidenephthalide
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Propylidenephthalide
structure -
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CAS No:
17369-59-4
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Formula:
C11H10O2
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Chemical Name:
Propylidenephthalide
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Synonyms:
1(3H)-Isobenzofuranone,3-propylidene-;Phthalide,3-propylidene-;3-Propylidene-1(3H)-isobenzofuranone;3-Propylidenephthalide;Propylidenephthalide;Celeriax
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CAS No:
Description
yellow liquid 3-Propylidenephthalide has a very powerful and warm, spicy herbaceous odor with a warm, spicy, herbaceous flavor.Clear yellow liquid.
3-propylidene phthalide is a clear yellow liquid. (NTP, 1992)|colourless, slightly viscous liquid; warm, spicy-herbaceous aroma
3-propylidene phthalide is a clear yellow liquid. (NTP, 1992)
Characteristics
26.30000
2.60790
clear mobile liquid
1.122 g/mL at 25 °C(lit.)
5 °C
170 °C @ Press: 12 Torr
>230 °F
n 20/D 1.586(lit.)
May be sensitive to prolonged exposure to air and moisture . Insoluble in water.
0.0013mmHg at 25°C
May be sensitive to prolonged exposure to air and moisture (NTP, 1992). Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
A ketone and an ether derivative.
Safety Information
NONH for all modes of transport
3
22-43
23-24/25-37-24
NP7235000
Xn
Stable. Combustible. Incompatible with strong oxidizing agents.
H302-H317
This chemical is probably combustible. (NTP, 1992)
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 1643 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
ACUTE/CHRONIC HAZARDS: This chemical can cause irritation of the skin and eyes. When heated to decomposition it emits acrid smoke and fumes. (NTP, 1992)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Propylidenephthalide Use and Manufacturing
1(3H)-Isobenzofuranone, 3-propylidene-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:174.20
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:174.068079557
Monoisotopic Mass:174.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:243
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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