CAS 16499-88-0 1-Propanamine, 3-butoxy- (HCID 85461)

Names & identifiers

Preferred name: 1-Propanamine, 3-butoxy-
IUPAC: 3-butoxypropan-1-amine
English name: 3-Butoxypropanamine
Molecular formula: C7H17NO
Molecular weight: 131.22

Names & synonyms

3-Butoxypropylamine16499-88-03-Butoxypropanamine1-Propanamine, 3-butoxy-3-Butoxy-1-propylamineEINECS 240-566-8DTXSID6066070RefChem:435905DTXCID7035301240-566-83-butoxypropan-1-aminebutoxypropylamine

Show more names

3BOPABP-NH2FENTAMINE OPA-4RARECHEM AL BW 04993-butoxy-1-propanamin3-N-BUTOXYPROPYLAMINE3-Butoxy-1-propanamine

MFCD000256223-n-Butoxy-1-propylamine3-Aminopropyl Butyl Ether3-butoxy propylamine3-butyloxypropyl amine3-(n-butoxy)propylamine3-Butoxy-1-propanamine #3-Butoxypropylamine, 99%

Database identifiers

CAS: 16499-88-0
PubChem CID: 85461
DTXSID: DTXSID6066070
EC Number: 240-566-8
Nikkaji: J116.186E

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 9
Formal charge: 0
Complexity: 48.2

Physicochemical properties

Melting point: -65 °C · -65 °C
Boiling point: 169 · 169-170 °C/756 mmHg (lit.)
Density: 0.853 g/mL · 0.853 g/mL at 25 °C (lit.)
vapor pressure: 1.29 hPa · 1.29hPa at 20℃
refractive index: 20 · n20/D 1.426(lit.)
Flash point: 146 °F · 146 °F
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 9.77 · 9.77±0.10(Predicted)
color: Colorless to Light yellow
Viscosity: 1.632 mm2/s · 1.632mm2/s
Water Solubility: miscible
InChI: 1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3
InChIKey: LPUBRQWGZPPVBS-UHFFFAOYSA-N
SMILES: CCCCOCCCN
LogP: 1.05 at · 1.05 at 20℃
CAS DataBase Reference: 16499 · 16499-88-0(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3-Butoxypropylamine(16499-88-0)
EPA Substance Registry System: 1 · 1-Propanamine, 3-butoxy- (16499-88-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29221990 · 29221990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.9% (37 of 109) of reports.

Danger

H301 (21.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

1-Propanamine, 3-butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine, 3-butoxy- 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: 12-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26854

Hazard Classes and CategoriesAcute Tox. 3 (21.1%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29221990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405