1,10-Decanediol

HCID 37153CAS 112-47-0
Substructure searchFind similar structures

Basic information

Standard SMILES
OCCCCCCCCCCO
InChIKey
FOTKYAAJKYLFFN-UHFFFAOYSA-N
Molecular formula
C10H22O2
Average molar mass
174.28 g/mol
Monoisotopic mass
174.16197994

Overview

1,10-decanediol has been reported in Perilla frutescens with data available.

Names & identifiers

Preferred name
1,10-Decanediol
IUPAC
decane-1,10-diol
English name
1,10-Decanediol
Molecular formula
C10H22O2
Molecular weight
174.28

Names & synonyms

1,10-Decanediol112-47-0Decamethylene glycolDecamethylenediol1,10-Dihydroxydecane1,10-Decamethylenediolalpha,omega-Decanediol5I577UDK52NSC-17165SPEZIOL C 10/2DTXSID3059420RefChem:71143
Show more names
DecanediolNSC406706NSC 406706NSC-406706Cetanediol10-Decanediol1,10-Decadiol1,10-Decandiol1, 10 - decane
DTXCID4033261203-975-2Decane-1,10-diol1,10-Decamethylene diol1,6-Bis(2-hydroxyethyl)hexane.alpha.,.omega.-DecanediolNSC 17165MFCD00004749

Database identifiers

CAS
112-47-0
PubChem CID
37153
DTXSID
DTXSID3059420
UNII
5I577UDK52
EC Number
203-975-2
Nikkaji
J10.105B

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
12

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (1,10-Decanediol) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesDensity
Physical Description · 2 items

Liquid

Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
70 · 70-73 °C
Boiling point
297 °C · 297 °C
Density
1 · 1,08 g/cm3
bulk density
550 kg/m3 · 550kg/m3
vapor pressure
0.1 hPa · <0.1 hPa (20 °C)
refractive index
1.4603 · 1.4603 (estimate)

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 99.3% (148 of 149) of all reports.

Not Classified

Aggregated GHS information provided per 149 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: 1,10-Decanediol

1,10-Decanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,10-Decanediol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19334

1,10-Decanediol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryIntraperitoneal lethal-dose (mouse) > 500 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 1-Decanol.
Hazard Classes and CategoriesNot Classified

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
rtecs
HD8433713
hs_code
29053980
Toxicity
LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rat > 2000 mg/kg

Chemistry & industry

Uses & manufacturing

Uses · 2 items

CIR ingredient: 1,10-Decanediol

Used as an intermediate in organic synthesis; [ExPub: EPA - TSCATS]

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

1,10-Decanediol: ACTIVE

Applications · 1 item

Uses1,10-Decanediol is an minor intermediate in the production of polyesters. It also used in essence, perfumes and in pharmaceuticals. The diacrylate is hydrophobic and used for flexible dental materials, radiation curable coatings, and for lenses.

Preparation methods

Preparation1,10-Decanediol is produced from sebacic acid by a hydrogenation process analogous to that described for 1,6-hexanediol.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

35 records
New reaction record

Linked notes

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