2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- (HCID 75657)

Names & identifiers

Preferred name: 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
IUPAC: 7-methoxy-3,4,5,6-tetrahydro-2H-azepine
English name: 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

7-Methoxy-3,4,5,6-tetrahydro-2H-azepine2525-16-8Caprolactim methyl ether2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-1-Aza-2-methoxy-1-cycloheptene2-Methoxy-1-azacyclohepteneO-MethylhexanolactimCaprolactim-O-methyl ether3,4,5,6-Tetrahydro-7-methoxy-2H-azepineFD6DMX4LATepsilon-Caprolactim etherNSC 31263

Show more names

AKOS BBS-00007015O-METHYLCAPROLACTIMO-METHYLCAPROLACTAMO-Methylcaprolactime

NSC 523095EINECS 219-762-2NSC-31263NSC-523095Methyl 3,4,5,6-tetrahydro-7H-azepin-2-yl etherDTXSID3062491RefChem:484246DTXCID3037250

Database identifiers

CAS: 2525-16-8
PubChem CID: 75657
DTXSID: DTXSID3062491
UNII: FD6DMX4LAT
EC Number: 219-762-2
Nikkaji: J192.011A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 21.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 52 · 52-53 °C18 mm Hg(lit.)
Density: 0.887 g/mL · 0.887 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.463(lit.)
Flash point: 124 °F · 124 °F
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 5.94 · 5.94±0.20(Predicted)
color: Colorless to Light yellow
Cosmetics Ingredients Functions: PERFUMING
InChI: 1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3
InChIKey: DNXIQMQGKSQHPC-UHFFFAOYSA-N
SMILES: COC1=NCCCCC1
LogP: 1.412 · 1.412 (est)
FDA UNII: 6 DMX4LAT · FD6DMX4LAT
EPA Substance Registry System: 2 H-Azepine, · 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- (2525-16-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 2 · 2
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-

Status: Active Update: 21-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21651

Other Safety InformationIMAP assessments - 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-: Environment tier I assessment

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: C
hazard_note: Corrosive
safety_code: 16
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235