CAS 53463-68-6 1-Decanol, 10-bromo- (HCID 104507)

Overview

10-Bromo-1-decanol is a primary alcohol.

Names & identifiers

Preferred name: 1-Decanol, 10-bromo-
IUPAC: 10-bromodecan-1-ol
English name: 10-Bromodecanol
Molecular formula: C10H21BrO
Molecular weight: 237.18

Names & synonyms

10-Bromo-1-decanol53463-68-61-Decanol, 10-bromo-EINECS 258-572-4DTXSID1068855RefChem:75547DTXCID904144110-Bromodecanol10-bromodecan-1-olC10H21BrOMFCD0004168110-hydroxy-1-bromo decane

Show more names

10-Bromo-1-decan10-bromo-1-decano1-bromo-10-decanol10-Bromo-1-decanol >10-Bromo-1-decanol,95%10-BROMO-1-DECANOL 85+%

1-bromodecan-10-ol10-bromodecane-1-ol10-bromo-decan-1-olFulvestrant Impurity 7210-hydroxy1-bromo decaneSCHEMBL52701SCHEMBL6246251CHEBI:188647

Database identifiers

CAS: 53463-68-6
PubChem CID: 104507
DTXSID: DTXSID1068855
ChEBI: CHEBI:188647
EC Number: 258-572-4
Nikkaji: J246.004A

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 12
Formal charge: 0
Complexity: 76.2

Physicochemical properties

Boiling point: 165 · 165-169 °C/10 mmHg (lit.)
Density: 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.476(lit.)
Flash point: 230 °F · >230 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Sparingly)
form: Liquid
pka: 15.2 · 15.20±0.10(Predicted)
color: Clear yellow
Water Solubility: It is miscible with water.
BRN: 1738593 · 1738593
Stability: Moisture Sensitive
InChI: 1S/C10H21BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
InChIKey: LGZMUUBPTDRQQM-UHFFFAOYSA-N
SMILES: OCCCCCCCCCCBr
CAS DataBase Reference: 53463 · 53463-68-6(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Decanol, 10-bromo- (53463-68-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29055900 · 29055900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29055900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Decanol, 10-bromo-: ACTIVE

Applications · 2 items

Uses10-Bromo-1-decanol is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It was also used in the synthesis of (11Z,13Z)-11,13-hexadecadienal, the female sex pheromone of the navel orangeworm (Amyelois transitella).

Uses10-Bromodecanol can be used to synthesize rotaxane dendrimers. It can also be used to synthesize J2326, a molecule that induces neurite outgrowth in neuronal cells.

Upstream & downstream products

Upstream raw materials

1,10-Decanediol Silane, [2-[[(10-bromodecyl)oxy]methoxy]ethyl]trimethyl-Decane, 1-bromo-10-[(2-methoxyethoxy)methoxy]-Benzene, [[[(10-bromodecyl)oxy]methoxy]methyl]-Decane, 1-bromo-10-(methoxymethoxy)-Hydrogen bromide Toluene 1,10-Dibromodecane

Downstream products

DECYL ACRYLATE ACETIC ACID 9-DECEN-1-YL ESTER 9-DECEN-1-OL 11-methyldodecanol CIS-11-EICOSENOIC ACID METHYL ESTER 12-methyl-1-tridecanol 10-Bromodecanoic acid 10-Phthalamido-1-decanol

Suppliers100 total

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

Additional notes

DefinitionChEBI: 10-Bromo-1-decanol is a primary alcohol.

Related reactions

29 records

New reaction record

HRID 177114As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 203243As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 288282As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 339149As reactantuspto-grants-2014_11

HRID 356798As reactantuspto-grants-1998_11

HRID 458481As reactantuspto-grants-2007_03

HRID 481264As reactantuspto-grants-2003_11

Compound notes

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Basic information