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Substance Name: Butylparaben [NF]
RN: 94-26-8
UNII: 3QPI1U3FV8
InChIKey: QFOHBWFCKVYLES-UHFFFAOYSA-N
Classification Codes
- Pharmaceutic Aid (Antifungal Agent)
- Skin / Eye Irritant
Molecular Formula
- C11-H14-O3
Molecular Weight
- 194.2286
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Benzoic acid, 4-hydroxy-, butyl ester
- Butyl 4-hydroxybenzoate
- Butyl p-hydroxybenzoate
- Butyl parahydroxybenzoate
- Butylparaben
- Butylparaben [NF]
Synonyms
- 4-(Butoxycarbonyl)phenol
- 4-10-00-00375 (Beilstein Handbook Reference)
- 4-Hydroxybenzoic acid butyl ester
- AI3-02930
- Aseptoform butyl
- Benzoic acid, 4-hydroxy-, butyl ester
- Benzoic acid, p-hydroxy-, butyl ester
- BRN 1103741
- Butoben
- Butyl 4-hydroxybenzoate
- Butyl butex
- Butyl chemosept
- Butyl p-hydroxybenzoate
- Butyl paraben
- Butyl parasept
- Butyl tegosept
- Butyl-Parasept
- Butylparaben
- Caswell No. 130A
- CCRIS 2462
- EINECS 202-318-7
- EPA Pesticide Chemical Code 061205
- FEMA No. 2203
- FEMA Number 2203
- HSDB 286
- n-Butyl hydroxybenzoate
- n-Butyl p-hydroxybenzoate
- n-Butyl parahydroxybenzoate
- Nipabutyl
- NSC 8475
- p-Hydroxybenzoic acid butyl ester
- Preserval B
- Solbrol B
- SPF
- Tegosept B
- Tegosept butyl
- UNII-3QPI1U3FV8
Systematic Names
- Benzoic acid, 4-hydroxy-, butyl ester
- Benzoic acid, p-hydroxy-, butyl ester
- Butyl 4-hydroxybenzoate
- Butyl p-hydroxybenzoate
Superlist Names
- Butyl 4-hydroxybenzoate
- Butyl p-hydroxybenzoate
- Butylparaben
Registry Numbers
CAS Registry Number
- 94-26-8
FDA UNII
- 3QPI1U3FV8
Other Registry Numbers
- 1350551-41-5
- 8068-49-3
System Generated Number
- 0000094268
Structure Descriptors
InChI
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3InChIKey
QFOHBWFCKVYLES-UHFFFAOYSA-NSmiles
CCCCOC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 230mg/kg (230mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | Journal of the Society of Cosmetic Chemists. Vol. 28, Pg. 357, 1977. |
mouse | LD50 | oral | 13200mg/kg (13200mg/kg) | Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 28, Pg. 463, 1973. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 68.5 | deg C | EXP | |
pKa Dissociation Constant | 8.47 | (none) | EXP | |
log P (octanol-water) | 3.57 | (none) | EXP | |
Water Solubility | 207 | mg/L | 20 | EXP |
Vapor Pressure | 1.86E-04 | mm Hg | 25 | EST |
Henry's Law Constant | 8.45E-09 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.55E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.