1-Butanol, 4-chloro-, 1-acetate (HCID 23399)

Names & identifiers

Preferred name: 1-Butanol, 4-chloro-, 1-acetate
IUPAC: 4-chlorobutyl acetate
English name: 4-Chlorobutyl acetate
Molecular formula: C6H11ClO2
Molecular weight: 150.6

Names & synonyms

4-Chlorobutyl acetate1-Butanol, 4-chloro-, 1-acetateEINECS 230-158-8BRN 1749681AI3-16503PYLDCZJUHYVOAF-UHFFFAOYSA-DTXSID208843444-02-00-00147 (Beilstein Handbook Reference)RefChem:75224DTXCID501023791230-158-8InChI=1/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3

Show more names

orobutyL4-Chlorobutyl acetatIndocyanine Green 174-Chlorbut-1-ylacetat4-Acetoxybutyl chloride4-chloro-1-butanoacetatedelta-chlorobutylacetate

PYLDCZJUHYVOAF-UHFFFAOYSA-N6962-92-14-chlorobutylacetate1-Acetoxy-4-chlorobutane4-Chloro-n-butyl acetate1-Chloro-4-acetoxybutane4-Chloro-1-butanol acetate1-BUTANOL, 4-CHLORO-, ACETATE

Database identifiers

CAS: 6962-92-1
PubChem CID: 23399
DTXSID: DTXSID20884344
EC Number: 230-158-8
Nikkaji: J35.904A

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 83.1

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 92 °C/22 · 92 °C/22 mmHg (lit.)
Density: 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.434(lit.)
Flash point: 148 °F · 148 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Clear Colourless
Specific Gravity: 1.08 · 1.08
Water Solubility: inmisceable
BRN: 1749681 · 1749681
InChI: InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChIKey: PYLDCZJUHYVOAF-UHFFFAOYSA-N
SMILES: C(OC(=O)C)CCCCl
CAS DataBase Reference: 6962 · 6962-92-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 1 · 1-Butanol, 4-chloro-, acetate(6962-92-1)
EPA Substance Registry System: 1 · 1-Butanol, 4-chloro-, acetate (6962-92-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P210e-P280a-P405-P501a-P210-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36-37/39
RIDADR: 3272 · 3272
WGK Germany: 3 · 3
RTECS: 1328000 · EL1328000
TSCA: TSCA listed
PackingGroup: III
HS Code: 2915907098 · 2915907098
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 24-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20067

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: EL1328000
ridadr: 3272
hs_code: 2915907098
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H227-H302-H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P210e-P280a-P405-P501a-P210-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Butanol, 4-chloro-, 1-acetate: ACTIVE

Applications

Uses4-Chlorobutyl Acetate is a reagent used in the synthesis of novel cyclic ADP ribose derivatives. Also used in the synthesis of a transient receptor potential melastatin 2 antagonist involved in insulin secretion.