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94-13-3

Basic Information
CAS No.: 94-13-3
Name: Propylparaben
Molecular Structure:
Molecular Structure of 94-13-3 (Propylparaben)
Formula: C10H12O3
Molecular Weight: 180.20
Synonyms: Propyl p-Hydroxybenzoate (Propylparaben);Propyl Hydroxy Benzoate;Propyl 4-hydroxybenzoate sodium salt;Propyl chemsept;ethyl paraben sodium;Propylparasept;Nipasol;EPA Pesticide Chemical Code 061204;Benzoic acid,4-hydroxy-,esters,propyl ester;Tegosept P;Chemocide pk;Propyl paraben;Propagin;Nipazol;p-Hydroxybenzoic acid propyl ester;Propylparaben (NF);4-Hydroxybenzoic acid, propyl ester, sodium salt;Propylparaben [USAN];Propyl butex;Natrium propyl 4-hydroxybenzoat;p-Hydroxybenzoic propyl ester;Nipagin P;Protaben P;Sodium propylparaben;Propyl parahydroxybenzoate;p-Hydroxypropyl benzoate;4-Hydroxybenzoic acid, propyl ester;Propyl parahydroxybenzoate (JP14);Sodium 4-propoxycarbonylphenoxide;EPA Pesticide Chemical Code 061203;Betacide P;4-Hydroxybenzoic acid propyl ester;Propyl chemosept;Aseptoform P;
EINECS: 202-307-7
Density: 1.134 g/cm3
Melting Point: 95-98 °C(lit.)
Boiling Point: 294.3 °C at 760 mmHg
Flash Point: 124.6 °C
Solubility: water: <0.1 g/100 mL at 12 °C
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-24/25-36
Transport Information:
PSA: 46.53000
LogP: 1.95900
Synthetic route
27739-13-5

n-propyl 4-acetoxybenzoate

94-13-3

nipasol

Conditions
ConditionsYield
With sodium; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 90℃; for 0.5h;95%
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 100℃; for 3h;79%
71-23-8

propan-1-ol

99-96-7

4-hydroxy-benzoic acid

94-13-3

nipasol

Conditions
ConditionsYield
With methanesulfonic acid; choline chloride Reflux;93.4%
With benzimidazole bisulfate ionic liquid Reflux;93.8%
With NKC-9-type macroporous resin at 98℃; for 3.08333h; Temperature; Microwave irradiation;89%

n-propyl 4-benzoyloxybenzoate

94-13-3

nipasol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 100℃; for 3h;90%
With sodium; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 90℃; for 0.5h;90%
With potassium fluoride; thiophenol In 1-methyl-pyrrolidin-2-one at 100℃; for 1h;80%
17348-67-3

1-(tert-butyldimethylsilyloxy)-2-propane

123-08-0

4-hydroxy-benzaldehyde

94-13-3

nipasol

Conditions
ConditionsYield
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; Selectfluor In acetonitrile at 20℃; for 7h; Inert atmosphere; Irradiation;80%
71-23-8

propan-1-ol

56-23-5

tetrachloromethane

108-95-2

phenol

A

94-13-3

nipasol

B

607-90-9

propyl salicylate

Conditions
ConditionsYield
With diiron nonacarbonyl at 130℃; for 6h; Catalytic behavior; Reagent/catalyst; Time; Inert atmosphere; Sealed tube;A 66%
B 34%
With iron(II) bromide at 130℃; for 6h; Reagent/catalyst; Inert atmosphere; Sealed tube;A 20%
B 22%
71-23-8

propan-1-ol

201230-82-2

carbon monoxide

108-95-2

phenol

94-13-3

nipasol

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; oxygen; potassium carbonate; potassium iodide at 100℃; under 6000.6 Torr; for 18h;50%
124-38-9

carbon dioxide

tetrapropyl-ammonium; phenolate

A

94-13-3

nipasol

B

99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With potassium carbonate at 125℃; under 37503 Torr; for 2h; Kolbe-Shmitt reaction;A 3.1 % Chromat.
B 30 % Chromat.
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Chemistry

Molecular Formula: C10H12O3
Molecular Weight: 180.2 g/mol
EINECS: 202-307-7
Boiling Point: 133 °C
Melting point: 95-99 °C(lit.)
Water solubility: <0.1 g/100 mL at 12 °C
Sensitive: Moisture sensitive
Appearance: White crystalline powder
Index of Refraction: 1.531
Density: 1.134 g/cm3
Flash Point: 124.6 °C
Enthalpy of Vaporization: 55.53 kJ/mol
Boiling Point: 294.3 °C at 760 mmHg
Vapour Pressure: 0.00093 mmHg at 25 °C
Structure of Propylparaben (CAS NO.94-13-3):
                       
IUPAC Name: Propyl 4-hydroxybenzoate
Product Category of Propylparaben (CAS NO.94-13-3): Pharmaceutical Raw Materials;Aromatic Esters

Uses

 Propylparaben (CAS NO.94-13-3) is used as antiseptic,antimicrobial agent, and antioxidant, and is also used in pharmaceutical industry.

Toxicity Data With Reference

1.    

orl-mus LD50:6332 mg/kg

    NEZAAQ    Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. 28 (1973),463.
2.    

ipr-mus LD50:200 mg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .
3.    

scu-mus LD50:1650 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 128 (1960),135.
4.    

orl-rbt LDLo:6 g/kg

    AEPPAE    Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 146 (1929),208.

Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by subcutaneous route. Mildly toxic by ingestion. An allergen. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.  
Safety Statements: 26-24/25-36
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
24/25:  Avoid contact with skin and eyes 
36:  Wear suitable protective clothing  
WGK Germany: 1
RTECS: DH2800000
HS Code: 29182930

Specification

 Propylparaben , its cas register number is 94-13-3. It also can be called Propyl paraben ; Propyl p-hydroxybenzoate ; Propyl 4-hydroxybenzoate ; Propyl Butex ; Propyl Chemosept ; 4-Hydroxybenzoic acid propyl ester ; and p-Hydroxybenzoic acid propyl ester . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Propylparaben (CAS NO.94-13-3) is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide.