1-Methylheptyl acrylate

HCID 98055

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Basic information

CAS: 42928-85-8
Standard SMILES: C=CC(=O)OC(C)CCCCCC
InChIKey: PKCKEGFHGRMLNH-UHFFFAOYSA-N
Molecular formula: C11H20O2
Average molar mass: 184.27 g/mol
Monoisotopic mass: 184.14632988

Names & identifiers

Preferred name: 1-Methylheptyl acrylate
IUPAC: octan-2-yl prop-2-enoate
English name: 2-Octyl acrylate
Molecular formula: C11H20O2
Molecular weight: 184.28

Names & synonyms

42928-85-82-OCTYL ACRYLATE1-Methylheptyl acrylateEINECS 256-005-5AI3-156882-Propenoic acid, 1-methylheptyl esterDTXSID001020316NSC 72752RefChem:434618DTXCID301526806256-005-5octan-2-yl acrylate

Show more names

2-OApropyleneacid2-octyl esterPropenoic acid 1-methylheptyl ester

octan-2-yl prop-2-enoateMFCD000806011-methylheptyl 2-propenoateNCIOpen2_000437SCHEMBL26062SCHEMBL27988116NSC72752NSC-72752

Database identifiers

CAS: 42928-85-8
PubChem CID: 98055
DTXSID: DTXSID001020316
EC Number: 256-005-5
Nikkaji: J310.006E

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 152

Physicochemical properties

Boiling point: 79 °C · 79 °C(Press: 5.4 Torr)
Density: 0.8754 g/cm3 · 0.8754 g/cm3
vapor pressure: 7 Pa · 7Pa at 20℃
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to light yellow Liquid
Water Solubility: 13.35 mg/L · 13.35mg/L at 20.12℃
LogP: 4.68 at · 4.68 at 25℃
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H335-H315-H319-H411
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 119 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 21-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24506

Hazard Classes and CategoriesSkin Irrit. 2 (99.2%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H317-H335-H315-H319-H411
REACH Registrations: Active
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P