1,2-Decanediol (HCID 79141)

Overview

Decane-1,2-diol is a glycol that is decane bearing two hydroxy substituents located at positions 1 and 2. It has a role as an antioxidant, an anti-inflammatory agent and a human metabolite. It is a volatile organic compound and a glycol. It derives from a hydride of a decane.

Names & identifiers

Preferred name: 1,2-Decanediol
IUPAC: decane-1,2-diol
English name: 1,2-Decanediol
Molecular formula: C10H22O2
Molecular weight: 174.28

Names & synonyms

1,2-Decanediol1119-86-4Decane-1,2-diolDecylene glycol1,2-DihydroxydecaneSYMCLARIOLS57M60MI88NSC-28662SYMCLARIOL 344028CHEBI:143858DTXSID601009388RefChem:71770

Show more names

AI3-165952-Decanediol1，2-decyldiolDecan-1,2-diol1,2-Decandiol, 98%1,2-Decanediol >1,2-Decanediol 98%1,2-Decanediol,98%

DTXCID50894976214-288-2MFCD000107391,2-DECYLENE GLYCOLUNII-S57M60MI88decane 1,2-diolNSC28662EINECS 214-288-2

Database identifiers

CAS: 1119-86-4
PubChem CID: 79141
DTXSID: DTXSID601009388
ChEBI: CHEBI:143858
UNII: S57M60MI88
EC Number: 214-288-2
Nikkaji: J80.156I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 12
Formal charge: 0
Complexity: 83.9

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other

CosmeticsCosmetic ingredients (Decylene Glycol) -> CIR (Cosmetic Ingredient Review)

Physical DescriptionHygroscopic solid; [Acros Organics MSDS]

Physicochemical properties

Melting point: 48 · 48-50 °C (lit.)
Boiling point: 255 °C · 255 °C (lit.)
Density: 0.9418 · 0.9418 (rough estimate)
vapor pressure: 0.004 Pa · 0.004Pa at 20℃
refractive index: 1.4561 · 1.4561 (estimate)
Flash point: 113 °C · 113 °C
storage temp.: -20 °C · -20°C Freezer
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 14.48 · 14.48±0.20(Predicted)
form: Solid
color: White to Off-White
Water Solubility: 579 mg/L · 579mg/L at 20℃
Cosmetics Ingredients Functions: SKIN CONDITIONING
InChI: InChI=1S/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3
InChIKey: YSRSBDQINUMTIF-UHFFFAOYSA-N
SMILES: C(O)C(O)CCCCCCCC
LogP: 1.99 at · 1.99 at 22.4℃
CAS DataBase Reference: 1119 · 1119-86-4(CAS DataBase Reference)
FDA UNII: 57 M60MI88 · S57M60MI88
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 2 · 2
HS Code: 29053995 · 29053995
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Skin Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.4% (3 of 125) of reports.

Danger

H318 (96.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 125 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 1,2-Decanediol

Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17615

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

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 1-Decanol.

Hazard Classes and CategoriesEye Dam. 1 (96.8%)

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: 2
hs_code: 29053995
Signal word: Danger
Symbol(GHS): GHS05
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H318
REACH Registrations: Active
Hazard Classifications: Skin Irrit. 2
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Decylene Glycol

Household ProductsInformation on 5 consumer products that contain Decylene Glycol in the following categories is provided:

Applications · 1 item

Uses1,2-Decanediol is a 1,2-alkanediol that is used as an antimicrobial agent in cosmetics. It also suppresses the fluidity of the hydrophilic and hydrophobic groups in the phospholipid membrane of liposomes. Preparation of 1-decene by deoxygenation of 1,2-decanediol with formic acid. It is used to Synthesis of EDOT-C8.

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 1,2-Decanediol is a glycol that is decane bearing two hydroxy substituents located at positions 1 and 2. It has a role as an anti-inflammatory agent, an antioxidant and a human metabolite. It is a glycol and a volatile organic compound. It derives from a hydride of a decane.