Pentaerythritol is a tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups.
Definition
Pentaerythritol is a tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups. It is a chemical intermediate used in the production of explosives, plastics, paints, appliances, and cosmetics. It has a role as a laxative and a flame retardant. It is a primary alcohol and a tetrol. It derives from a hydride of a neopentane.
Source: PubChem
US FDA substance register · UNII SU420W1S6N · registered name PENTAERYTHRITOL · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Official labels & definitions
JCIA labelling name ペンタエリスリトール: 本品は、次の化学式で表される有機化合物である。
Source: JCIA labelling names (Japan)
Names & identifiers
- CAS No.chemical registry number
- 115-77-5
- EC No.EU chemical inventory number
- 204-104-9
- DTXSIDUS EPA chemical ID
- DTXSID2026943
- DTXCIDUS EPA compound ID
- DTXCID806943
- IUPAC
- 2,2-Bis(hydroxymethyl)propane-1,3-diol
- Molecular formula
- C5H12O4
- Molecular weight
- 136.147 g/mol
Measured properties
- Appearance
- Pentaerythritol is an odorless white solid. Sinks and mixes slowly with water. (USCG, 1999) · Liquid, CBI, Large Crystals, Other Solid, Dry Powder
- Odour
- Odorless
- Boiling point
- Sublimes (NIOSH, 2024) · Sublimes
- Melting point
- 502 °F (USCG, 1999) · 258 °C
- Solubility
- 6 % at 59 °F (NIOSH, 2024) · Insoluble in ethyl ether, benzene
- Density
- 1.39 at 77 °F (USCG, 1999) - Denser than water, will sink · 1.399 at 25 °C/4 °C
- Stability
- Stable in air
- Dissociation constant
- pKa = 14.10
- Colour
- white
- Melting/freezing point
- 532 K
- Initial boiling point and range
- 642 K(101.3 kPa)
- Flammability (solid, gas)
- not flammable
- Vapour pressure
- 0 ㎩ (20℃)
- Water solubility
- 62 g/ℓ (20℃, pH: 5.4)
- Vapour density
- 1.396 g/㎤ (25℃)
- Relative density
- 1.37
- n-Octanol/water partition coefficient (Kow)
- -1.7 (log Pow, 23℃)
- Auto-ignition temperature
- &, gt, 400 ℃
- Decomposition temperature
- -8.73
- Molecular weight
- 136.15
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 25 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Processing aids not otherwise specified6
- Intermediate4
- Lubricating agent2
- Flame retardant2
- Solvent2
- Flow promoter1
- Photosensitive agent1
- Viscosity modifier1
6 other uses
- Humectant1
- Softener and conditioner1
- Corrosion inhibitor1
- Fire extinguishing agent1
- Abrasive1
- Monomers1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
2 skin studies and 1 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 3 studies
- Not likely to be sensitizing
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) July 2010 - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: OECO Guideline for Testing of Chemicals. OECO, ISBN-92-64-12221-4 (1981) equivalent or similar to other guideline: Draize, J.H. In appraisal of the Safety of Chemicals in Food, Drugs and Cosmetics, 46-59, Association of Food and Drug Officials of the United States, Topeka, Kansas 1995 equivalent or similar to other guideline: Draize, J.H., Woodward, G. and H.O. Calvery, J. Pharmacol. Exp. Therap., 82, 377-390 (1944) equivalent or similar to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) October 2012 according to
Source: US EPA CompTox dashboard
Related literature
- Novel Injectable Hydrogel Formulations and Gas Chromatography Analysis of the Residual Crosslinker in Formulations Intended for Pharmaceutical and Cosmetic Applications · 2024
- Novel Crosslinked HA Hydrogel Films for the Immediate Release of Active Ingredients · 2022
- Characterization and evaluation of novel sustainable polymers derived from renewable rosin · 2021
- Low Molecular Weight Poly(Lactide-co-Caprolactone) for Tissue Adhesion and Tetracycline Hydrochloride Controlled Release in Wound Management · 2012
- Fabric analysis by ambient mass spectrometry for explosives and drugs. · 2008
Linked databases 17
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- JCIA labelling names (Japan)
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
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