CAS 1119-87-5 1,2-Dodecanediol (HCID 92866)

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Basic information

CAS: 1119-87-5
Standard SMILES: CCCCCCCCCCC(O)CO
InChIKey: ZITKDVFRMRXIJQ-UHFFFAOYSA-N
Molecular formula: C12H26O2
Average molar mass: 202.33 g/mol
Monoisotopic mass: 202.19328007

Overview

1,2-dodecanediol is a medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 2. It has a role as an antibacterial agent and an antifungal agent. It is a medium-chain primary fatty alcohol, a secondary fatty alcohol and a dodecanediol.

Names & identifiers

Preferred name: 1,2-Dodecanediol
IUPAC: dodecane-1,2-diol
English name: 1,2-Dodecanediol
Molecular formula: C12H26O2
Molecular weight: 202.33

Names & synonyms

1,2-DodecanediolDodecane-1,2-diol1,2-DihydroxydodecaneLauryl glycolEMM0U4H102EINECS 214-289-8UNII-EMM0U4H102N-DODECANE-1,2-DIOL1,2-DODECYLENE GLYCOL2-HYDROXYLAURYL ALCOHOLMEXANYL GUNSC 25930

Show more names

Dodecanedioldodecane-1,laurylglycolauryl glycol1,2-Dodecandiol1,2-Dodecanediol>1,2-Dodecanediol 90%1,2-DODECANEDIOL 95+%

NSC-25930LAURYL GLYCOL [INCI]AI3-13236DTXSID30862552RefChem:72048(+-)-LAURYL GLYCOLDTXCID20811296LAURYL GLYCOL, (+-)-

Database identifiers

CAS: 1119-87-5
PubChem CID: 92866
DTXSID: DTXSID30862552
ChEBI: CHEBI:228133
UNII: EMM0U4H102
EC Number: 214-289-8
Nikkaji: J203.345C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 104

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Lauryl Glycol) -> CIR (Cosmetic Ingredient Review)

Emollient; Antistatic; Skin conditioning; Hair conditioning

Physicochemical properties

Melting point: 56 · 56-60 °C (lit.)
Boiling point: 280.32 °C · 280.32°C (rough estimate)
Density: 0.9216 · 0.9216 (rough estimate)
refractive index: 1.4617 · 1.4617 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystaline
pka: 14.46 · 14.46±0.20(Predicted)
color: White to Almost white
BRN: 1700179 · 1700179
Cosmetics Ingredients Functions: SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGANTISTATICHAIR CONDITIONING
Cosmetic Ingredient Review (CIR)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 15.9% (25 of 157) of reports.

Warning

H319 (84.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 1,2-Dodecanediol

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1,2-Dodecanediol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (84.1%)

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 1
tsca: TSCA listed
hs_code: 2905.39.9000
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Lauryl Glycol

Use ClassificationCosmetics -> Emollient; Antistatic; Skin conditioning; Hair conditioning

General Manufacturing Information1,2-Dodecanediol: ACTIVE

Applications

Uses1,2-Dodecanediol was used in the preparation of:lipophilic diamines and amino alcoholsFe(II), Co(II) and Ni(II) ferrite nanoparticles in the range of 9-25 nm