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C₁₉H₂₆O₄SCAS 2312-35-8350.47 g/mol

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Alkyne Ether

Properties

Molecular formula: C₁₉H₂₆O₄S
Molar mass: 350.47 g/mol
Exact mass: 350.1552 Da
Density: 1.1 g/mL (at 20 °C)
Melting point: below 25 °C
Flash point: 27.8 °C
Water solubility: 215 µg/L (25 °C)
logP: 3.92Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Danger

H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H331 Toxic if inhaledAcute toxicity, inhalation
H351 Suspected of causing cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2312-35-8

SMILES

C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1

InChIKey

ZYHMJXZULPZUED-UHFFFAOYSA-N

InChI

InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3

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Names and synonyms

19 names · show all

Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester
Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester
Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester
2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite
Omite
Naugatuck D 014
D 014
Omite 85E
Propargil
Comite
Omite 57E
2-(p-tert-Butylphenoxy)cyclohexyl propargyl sulfite
Cyclosulfyne
BPPS
Kelaran
D 014 (Ester)
Comite II
Acarit 720EC
2-(4-(tert-Butyl)phenoxy)cyclohexyl prop-2-yn-1-yl sulfite

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Similar compounds

Aramite140-57-840 % similar p-tert-Butylphenyl glycidyl ether3101-60-831 % similar 4-tert-Butylanisole5396-38-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia